1-(4-tert-butyl-6-chloro-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5,6-diethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-[4-tert-butyl-5-(2,2-difluoropropyl)pyrimidin-2-yl]-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethyl-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-6-methyl-2-methylsulfonyl-5-propan-2-ylpyrimidine;bis(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-amine);4-tert-butyl-6-methyl-5-propan-2-ylpyrimidine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-N-ethylethanamine

C163H284ClF2N33O3S — CID 158919904

About 1-(4-tert-butyl-6-chloro-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5,6-diethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-[4-tert-butyl-5-(2,2-difluoropropyl)pyrimidin-2-yl]-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethyl-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-6-methyl-2-methylsulfonyl-5-propan-2-ylpyrimidine;bis(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-amine);4-tert-butyl-6-methyl-5-propan-2-ylpyrimidine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-N-ethylethanamine

1-(4-tert-butyl-6-chloro-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5,6-diethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-[4-tert-butyl-5-(2,2-difluoropropyl)pyrimidin-2-yl]-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethyl-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-6-methyl-2-methylsulfonyl-5-propan-2-ylpyrimidine;bis(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-amine);4-tert-butyl-6-methyl-5-propan-2-ylpyrimidine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-N-ethylethanamine (PubChem CID 158919904) has the molecular formula C163H284ClF2N33O3S and a molecular weight of 2859.81 g/mol. Its IUPAC name is 1-(4-tert-butyl-6-chloro-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5,6-diethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-[4-tert-butyl-5-(2,2-difluoropropyl)pyrimidin-2-yl]-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethyl-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-6-methyl-2-methylsulfonyl-5-propan-2-ylpyrimidine;bis(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-amine);4-tert-butyl-6-methyl-5-propan-2-ylpyrimidine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-N-ethylethanamine.

Molecular Properties

• Compound Name: 1-(4-tert-butyl-6-chloro-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5,6-diethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-[4-tert-butyl-5-(2,2-difluoropropyl)pyrimidin-2-yl]-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethyl-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-6-methyl-2-methylsulfonyl-5-propan-2-ylpyrimidine;bis(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-amine);4-tert-butyl-6-methyl-5-propan-2-ylpyrimidine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-N-ethylethanamine
• PubChem CID: 158919904
• Molecular Formula: C163H284ClF2N33O3S
• Molecular Weight: 2859.81 g/mol
• Exact Mass: 2857.25
• IUPAC Name: 1-(4-tert-butyl-6-chloro-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5,6-diethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-[4-tert-butyl-5-(2,2-difluoropropyl)pyrimidin-2-yl]-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethyl-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-6-methyl-2-methylsulfonyl-5-propan-2-ylpyrimidine;bis(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-amine);4-tert-butyl-6-methyl-5-propan-2-ylpyrimidine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-N-ethylethanamine
• SMILES: CCN(CC)Cc1nc(C)c(C(C)C)c(C(C)(C)C)n1.CCc1c(C)nc(CN(C)C)nc1C(C)(C)C.CCc1c(Cl)nc(CN(C)C)nc1C(C)(C)C.CCc1cnc(CN(C)C)nc1C(C)(C)C.CCc1nc(CN(C)C)nc(C(C)(C)C)c1CC.CN(C)Cc1ncc(CC(C)(F)F)c(C(C)(C)C)n1.Cc1nc(CN(C)C)nc(C(C)(C)C)c1C(C)C.Cc1nc(CO)nc(C(C)(C)C)c1C(C)C.Cc1nc(N)nc(C(C)(C)C)c1C(C)C.Cc1nc(N)nc(C(C)(C)C)c1C(C)C.Cc1nc(S(C)(=O)=O)nc(C(C)(C)C)c1C(C)C.Cc1ncnc(C(C)(C)C)c1C(C)C
• InChI: InChI=1S/C17H31N3.2C15H27N3.C14H23F2N3.C14H25N3.C13H22ClN3.C13H23N3.C13H22N2O2S.C13H22N2O.2C12H21N3.C12H20N2/c1-9-20(10-2)11-14-18-13(5)15(12(3)4)16(19-14)17(6,7)8;1-10(2)13-11(3)16-12(9-18(7)8)17-14(13)15(4,5)6;1-8-11-12(9-2)16-13(10-18(6)7)17-14(11)15(3,4)5;1-13(2,3)12-10(7-14(4,15)16)8-17-11(18-12)9-19(5)6;1-8-11-10(2)15-12(9-17(6)7)16-13(11)14(3,4)5;1-7-9-11(13(2,3)4)15-10(8-17(5)6)16-12(9)14;1-7-10-8-14-11(9-16(5)6)15-12(10)13(2,3)4;1-8(2)10-9(3)14-12(18(7,16)17)15-11(10)13(4,5)6;1-8(2)11-9(3)14-10(7-16)15-12(11)13(4,5)6;2*1-7(2)9-8(3)14-11(13)15-10(9)12(4,5)6;1-8(2)10-9(3)13-7-14-11(10)12(4,5)6/h12H,9-11H2,1-8H3;10H,9H2,1-8H3;8-10H2,1-7H3;8H,7,9H2,1-6H3;8-9H2,1-7H3;7-8H2,1-6H3;8H,7,9H2,1-6H3;8H,1-7H3;8,16H,7H2,1-6H3;2*7H,1-6H3,(H2,13,14,15);7-8H,1-6H3
• InChIKey: JHRYTBJDSBHBRU-UHFFFAOYSA-N
• XLogP: 35.56
• TPSA: 438.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2859.81
LogP ≤ 5	35.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-6-chloro-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5,6-diethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-[4-tert-butyl-5-(2,2-difluoropropyl)pyrimidin-2-yl]-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethyl-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-6-methyl-2-methylsulfonyl-5-propan-2-ylpyrimidine;bis(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-amine);4-tert-butyl-6-methyl-5-propan-2-ylpyrimidine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-N-ethylethanamine?

The IUPAC name of 1-(4-tert-butyl-6-chloro-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5,6-diethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-[4-tert-butyl-5-(2,2-difluoropropyl)pyrimidin-2-yl]-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethyl-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-6-methyl-2-methylsulfonyl-5-propan-2-ylpyrimidine;bis(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-amine);4-tert-butyl-6-methyl-5-propan-2-ylpyrimidine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-N-ethylethanamine (CID 158919904) is 1-(4-tert-butyl-6-chloro-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5,6-diethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-[4-tert-butyl-5-(2,2-difluoropropyl)pyrimidin-2-yl]-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethyl-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-6-methyl-2-methylsulfonyl-5-propan-2-ylpyrimidine;bis(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-amine);4-tert-butyl-6-methyl-5-propan-2-ylpyrimidine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-N-ethylethanamine.

What is the SMILES notation for 1-(4-tert-butyl-6-chloro-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5,6-diethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-[4-tert-butyl-5-(2,2-difluoropropyl)pyrimidin-2-yl]-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethyl-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-6-methyl-2-methylsulfonyl-5-propan-2-ylpyrimidine;bis(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-amine);4-tert-butyl-6-methyl-5-propan-2-ylpyrimidine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-N-ethylethanamine?

The canonical SMILES for 1-(4-tert-butyl-6-chloro-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5,6-diethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-[4-tert-butyl-5-(2,2-difluoropropyl)pyrimidin-2-yl]-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethyl-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-6-methyl-2-methylsulfonyl-5-propan-2-ylpyrimidine;bis(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-amine);4-tert-butyl-6-methyl-5-propan-2-ylpyrimidine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-N-ethylethanamine is CCN(CC)Cc1nc(C)c(C(C)C)c(C(C)(C)C)n1.CCc1c(C)nc(CN(C)C)nc1C(C)(C)C.CCc1c(Cl)nc(CN(C)C)nc1C(C)(C)C.CCc1cnc(CN(C)C)nc1C(C)(C)C.CCc1nc(CN(C)C)nc(C(C)(C)C)c1CC.CN(C)Cc1ncc(CC(C)(F)F)c(C(C)(C)C)n1.Cc1nc(CN(C)C)nc(C(C)(C)C)c1C(C)C.Cc1nc(CO)nc(C(C)(C)C)c1C(C)C.Cc1nc(N)nc(C(C)(C)C)c1C(C)C.Cc1nc(N)nc(C(C)(C)C)c1C(C)C.Cc1nc(S(C)(=O)=O)nc(C(C)(C)C)c1C(C)C.Cc1ncnc(C(C)(C)C)c1C(C)C.

What is the InChIKey of 1-(4-tert-butyl-6-chloro-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5,6-diethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-[4-tert-butyl-5-(2,2-difluoropropyl)pyrimidin-2-yl]-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethyl-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-6-methyl-2-methylsulfonyl-5-propan-2-ylpyrimidine;bis(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-amine);4-tert-butyl-6-methyl-5-propan-2-ylpyrimidine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-N-ethylethanamine?

The InChIKey is JHRYTBJDSBHBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3.2C15H27N3.C14H23F2N3.C14H25N3.C13H22ClN3.C13H23N3.C13H22N2O2S.C13H22N2O.2C12H21N3.C12H20N2/c1-9-20(10-2)11-14-18-13(5)15(12(3)4)16(19-14)17(6,7)8;1-10(2)13-11(3)16-12(9-18(7)8)17-14(13)15(4,5)6;1-8-11-12(9-2)16-13(10-18(6)7)17-14(11)15(3,4)5;1-13(2,3)12-10(7-14(4,15)16)8-17-11(18-12)9-19(5)6;1-8-11-10(2)15-12(9-17(6)7)16-13(11)14(3,4)5;1-7-9-11(13(2,3)4)15-10(8-17(5)6)16-12(9)14;1-7-10-8-14-11(9-16(5)6)15-12(10)13(2,3)4;1-8(2)10-9(3)14-12(18(7,16)17)15-11(10)13(4,5)6;1-8(2)11-9(3)14-10(7-16)15-12(11)13(4,5)6;2*1-7(2)9-8(3)14-11(13)15-10(9)12(4,5)6;1-8(2)10-9(3)13-7-14-11(10)12(4,5)6/h12H,9-11H2,1-8H3;10H,9H2,1-8H3;8-10H2,1-7H3;8H,7,9H2,1-6H3;8-9H2,1-7H3;7-8H2,1-6H3;8H,7,9H2,1-6H3;8H,1-7H3;8,16H,7H2,1-6H3;2*7H,1-6H3,(H2,13,14,15);7-8H,1-6H3.

What are the key properties of 1-(4-tert-butyl-6-chloro-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5,6-diethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-[4-tert-butyl-5-(2,2-difluoropropyl)pyrimidin-2-yl]-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethyl-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-6-methyl-2-methylsulfonyl-5-propan-2-ylpyrimidine;bis(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-amine);4-tert-butyl-6-methyl-5-propan-2-ylpyrimidine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-N-ethylethanamine?

1-(4-tert-butyl-6-chloro-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5,6-diethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-[4-tert-butyl-5-(2,2-difluoropropyl)pyrimidin-2-yl]-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethyl-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-6-methyl-2-methylsulfonyl-5-propan-2-ylpyrimidine;bis(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-amine);4-tert-butyl-6-methyl-5-propan-2-ylpyrimidine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-N-ethylethanamine has a molecular weight of 2859.81 g/mol, XLogP of 35.56, 32 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-tert-butyl-6-chloro-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5,6-diethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-[4-tert-butyl-5-(2,2-difluoropropyl)pyrimidin-2-yl]-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethyl-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-6-methyl-2-methylsulfonyl-5-propan-2-ylpyrimidine;bis(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-amine);4-tert-butyl-6-methyl-5-propan-2-ylpyrimidine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-N-ethylethanamine is sourced from PubChem (CID 158919904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).