N-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine

C93H100F3N23O5S4 — CID 163779022

About N-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine

N-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine (PubChem CID 163779022) has the molecular formula C93H100F3N23O5S4 and a molecular weight of 1805.24 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 163779022
• Molecular Formula: C93H100F3N23O5S4
• Molecular Weight: 1805.24 g/mol
• Exact Mass: 1803.71
• IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine
• SMILES: CC(Nc1ncnc2c1CCS2)c1ccccn1.CCc1cc2c(NC3CCCC3)ncnc2s1.COc1ccc(CCNc2ncnc3c2cnn3C)cc1.COc1cccc(C(CNc2nc(C(F)(F)F)nc3ccccc23)N(C)C)c1.c1ccc(CN2CCOCC2)c(CNc2ncnc3ccsc23)c1.c1nc(NCc2ccc3c(c2)OCO3)c2sccc2n1
• InChI: InChI=1S/C20H21F3N4O.C18H20N4OS.C15H17N5O.C14H11N3O2S.C13H14N4S.C13H17N3S/c1-27(2)17(13-7-6-8-14(11-13)28-3)12-24-18-15-9-4-5-10-16(15)25-19(26-18)20(21,22)23;1-2-4-15(12-22-6-8-23-9-7-22)14(3-1)11-19-18-17-16(5-10-24-17)20-13-21-18;1-20-15-13(9-19-20)14(17-10-18-15)16-8-7-11-3-5-12(21-2)6-4-11;1-2-11-12(19-8-18-11)5-9(1)6-15-14-13-10(3-4-20-13)16-7-17-14;1-9(11-4-2-3-6-14-11)17-12-10-5-7-18-13(10)16-8-15-12;1-2-10-7-11-12(14-8-15-13(11)17-10)16-9-5-3-4-6-9/h4-11,17H,12H2,1-3H3,(H,24,25,26);1-5,10,13H,6-9,11-12H2,(H,19,20,21);3-6,9-10H,7-8H2,1-2H3,(H,16,17,18);1-5,7H,6,8H2,(H,15,16,17);2-4,6,8-9H,5,7H2,1H3,(H,15,16,17);7-9H,2-6H2,1H3,(H,14,15,16)
• InChIKey: MMZOTEBUVJCOFV-UHFFFAOYSA-N
• XLogP: 18.87
• TPSA: 310.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1805.24
LogP ≤ 5	18.87
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine (CID 163779022) is N-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine is CC(Nc1ncnc2c1CCS2)c1ccccn1.CCc1cc2c(NC3CCCC3)ncnc2s1.COc1ccc(CCNc2ncnc3c2cnn3C)cc1.COc1cccc(C(CNc2nc(C(F)(F)F)nc3ccccc23)N(C)C)c1.c1ccc(CN2CCOCC2)c(CNc2ncnc3ccsc23)c1.c1nc(NCc2ccc3c(c2)OCO3)c2sccc2n1.

What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine?

The InChIKey is MMZOTEBUVJCOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O.C18H20N4OS.C15H17N5O.C14H11N3O2S.C13H14N4S.C13H17N3S/c1-27(2)17(13-7-6-8-14(11-13)28-3)12-24-18-15-9-4-5-10-16(15)25-19(26-18)20(21,22)23;1-2-4-15(12-22-6-8-23-9-7-22)14(3-1)11-19-18-17-16(5-10-24-17)20-13-21-18;1-20-15-13(9-19-20)14(17-10-18-15)16-8-7-11-3-5-12(21-2)6-4-11;1-2-11-12(19-8-18-11)5-9(1)6-15-14-13-10(3-4-20-13)16-7-17-14;1-9(11-4-2-3-6-14-11)17-12-10-5-7-18-13(10)16-8-15-12;1-2-10-7-11-12(14-8-15-13(11)17-10)16-9-5-3-4-6-9/h4-11,17H,12H2,1-3H3,(H,24,25,26);1-5,10,13H,6-9,11-12H2,(H,19,20,21);3-6,9-10H,7-8H2,1-2H3,(H,16,17,18);1-5,7H,6,8H2,(H,15,16,17);2-4,6,8-9H,5,7H2,1H3,(H,15,16,17);7-9H,2-6H2,1H3,(H,14,15,16).

What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine?

N-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine has a molecular weight of 1805.24 g/mol, XLogP of 18.87, 25 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 163779022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).