2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;2,4-dimethyl-6-phenylmethoxypyridine;4,6-dimethylpyridin-2-amine;bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;1-fluoro-3,5-dimethylbenzene;methane;3,4,6-trimethylpyridazine;N,4,6-trimethylpyridin-2-amine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine

C106H137ClFN17O4 — CID 159597916

About 2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;2,4-dimethyl-6-phenylmethoxypyridine;4,6-dimethylpyridin-2-amine;bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;1-fluoro-3,5-dimethylbenzene;methane;3,4,6-trimethylpyridazine;N,4,6-trimethylpyridin-2-amine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine

2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;2,4-dimethyl-6-phenylmethoxypyridine;4,6-dimethylpyridin-2-amine;bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;1-fluoro-3,5-dimethylbenzene;methane;3,4,6-trimethylpyridazine;N,4,6-trimethylpyridin-2-amine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine (PubChem CID 159597916) has the molecular formula C106H137ClFN17O4 and a molecular weight of 1767.83 g/mol. Its IUPAC name is 2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;2,4-dimethyl-6-phenylmethoxypyridine;4,6-dimethylpyridin-2-amine;bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;1-fluoro-3,5-dimethylbenzene;methane;3,4,6-trimethylpyridazine;N,4,6-trimethylpyridin-2-amine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine.

Molecular Properties

• Compound Name: 2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;2,4-dimethyl-6-phenylmethoxypyridine;4,6-dimethylpyridin-2-amine;bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;1-fluoro-3,5-dimethylbenzene;methane;3,4,6-trimethylpyridazine;N,4,6-trimethylpyridin-2-amine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine
• PubChem CID: 159597916
• Molecular Formula: C106H137ClFN17O4
• Molecular Weight: 1767.83 g/mol
• Exact Mass: 1766.07
• IUPAC Name: 2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;2,4-dimethyl-6-phenylmethoxypyridine;4,6-dimethylpyridin-2-amine;bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;1-fluoro-3,5-dimethylbenzene;methane;3,4,6-trimethylpyridazine;N,4,6-trimethylpyridin-2-amine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine
• SMILES: C.C.CC1=CC(C)=NCC1=O.CNc1cc(C)cc(C)n1.Cc1cc(C)[nH]c(=O)c1.Cc1cc(C)[nH]c(=O)c1.Cc1cc(C)c(C)cn1.Cc1cc(C)c(C)nn1.Cc1cc(C)cc(C#N)c1.Cc1cc(C)cc(F)c1.Cc1cc(C)nc(C)n1.Cc1cc(C)nc(Cl)n1.Cc1cc(C)nc(N)c1.Cc1cc(C)nc(OCc2ccccc2)c1.Cc1ccc(C#N)c(C)c1
• InChI: InChI=1S/C14H15NO.2C9H9N.C8H9F.C8H12N2.C8H11N.3C7H10N2.3C7H9NO.C6H7ClN2.2CH4/c1-11-8-12(2)15-14(9-11)16-10-13-6-4-3-5-7-13;1-7-3-8(2)5-9(4-7)6-10;1-7-3-4-9(6-10)8(2)5-7;1-6-3-7(2)5-8(9)4-6;1-6-4-7(2)10-8(5-6)9-3;1-6-4-8(3)9-5-7(6)2;1-5-4-6(2)9-7(3)8-5;1-5-4-6(2)8-9-7(5)3;1-5-3-6(2)9-7(8)4-5;1-5-3-6(2)8-4-7(5)9;2*1-5-3-6(2)8-7(9)4-5;1-4-3-5(2)9-6(7)8-4;;/h3-9H,10H2,1-2H3;2*3-5H,1-2H3;3-5H,1-2H3;4-5H,1-3H3,(H,9,10);4-5H,1-3H3;2*4H,1-3H3;3-4H,1-2H3,(H2,8,9);3H,4H2,1-2H3;2*3-4H,1-2H3,(H,8,9);3H,1-2H3;2*1H4
• InChIKey: MLBZQOZBORDLGZ-UHFFFAOYSA-N
• XLogP: 23.88
• TPSA: 318.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 4
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1767.83
LogP ≤ 5	23.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;2,4-dimethyl-6-phenylmethoxypyridine;4,6-dimethylpyridin-2-amine;bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;1-fluoro-3,5-dimethylbenzene;methane;3,4,6-trimethylpyridazine;N,4,6-trimethylpyridin-2-amine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine?

The IUPAC name of 2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;2,4-dimethyl-6-phenylmethoxypyridine;4,6-dimethylpyridin-2-amine;bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;1-fluoro-3,5-dimethylbenzene;methane;3,4,6-trimethylpyridazine;N,4,6-trimethylpyridin-2-amine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine (CID 159597916) is 2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;2,4-dimethyl-6-phenylmethoxypyridine;4,6-dimethylpyridin-2-amine;bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;1-fluoro-3,5-dimethylbenzene;methane;3,4,6-trimethylpyridazine;N,4,6-trimethylpyridin-2-amine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine.

What is the SMILES notation for 2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;2,4-dimethyl-6-phenylmethoxypyridine;4,6-dimethylpyridin-2-amine;bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;1-fluoro-3,5-dimethylbenzene;methane;3,4,6-trimethylpyridazine;N,4,6-trimethylpyridin-2-amine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine?

The canonical SMILES for 2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;2,4-dimethyl-6-phenylmethoxypyridine;4,6-dimethylpyridin-2-amine;bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;1-fluoro-3,5-dimethylbenzene;methane;3,4,6-trimethylpyridazine;N,4,6-trimethylpyridin-2-amine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine is C.C.CC1=CC(C)=NCC1=O.CNc1cc(C)cc(C)n1.Cc1cc(C)[nH]c(=O)c1.Cc1cc(C)[nH]c(=O)c1.Cc1cc(C)c(C)cn1.Cc1cc(C)c(C)nn1.Cc1cc(C)cc(C#N)c1.Cc1cc(C)cc(F)c1.Cc1cc(C)nc(C)n1.Cc1cc(C)nc(Cl)n1.Cc1cc(C)nc(N)c1.Cc1cc(C)nc(OCc2ccccc2)c1.Cc1ccc(C#N)c(C)c1.

What is the InChIKey of 2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;2,4-dimethyl-6-phenylmethoxypyridine;4,6-dimethylpyridin-2-amine;bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;1-fluoro-3,5-dimethylbenzene;methane;3,4,6-trimethylpyridazine;N,4,6-trimethylpyridin-2-amine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine?

The InChIKey is MLBZQOZBORDLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.2C9H9N.C8H9F.C8H12N2.C8H11N.3C7H10N2.3C7H9NO.C6H7ClN2.2CH4/c1-11-8-12(2)15-14(9-11)16-10-13-6-4-3-5-7-13;1-7-3-8(2)5-9(4-7)6-10;1-7-3-4-9(6-10)8(2)5-7;1-6-3-7(2)5-8(9)4-6;1-6-4-7(2)10-8(5-6)9-3;1-6-4-8(3)9-5-7(6)2;1-5-4-6(2)9-7(3)8-5;1-5-4-6(2)8-9-7(5)3;1-5-3-6(2)9-7(8)4-5;1-5-3-6(2)8-4-7(5)9;2*1-5-3-6(2)8-7(9)4-5;1-4-3-5(2)9-6(7)8-4;;/h3-9H,10H2,1-2H3;2*3-5H,1-2H3;3-5H,1-2H3;4-5H,1-3H3,(H,9,10);4-5H,1-3H3;2*4H,1-3H3;3-4H,1-2H3,(H2,8,9);3H,4H2,1-2H3;2*3-4H,1-2H3,(H,8,9);3H,1-2H3;2*1H4.

What are the key properties of 2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;2,4-dimethyl-6-phenylmethoxypyridine;4,6-dimethylpyridin-2-amine;bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;1-fluoro-3,5-dimethylbenzene;methane;3,4,6-trimethylpyridazine;N,4,6-trimethylpyridin-2-amine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine?

2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;2,4-dimethyl-6-phenylmethoxypyridine;4,6-dimethylpyridin-2-amine;bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;1-fluoro-3,5-dimethylbenzene;methane;3,4,6-trimethylpyridazine;N,4,6-trimethylpyridin-2-amine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine has a molecular weight of 1767.83 g/mol, XLogP of 23.88, 4 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;2,4-dimethyl-6-phenylmethoxypyridine;4,6-dimethylpyridin-2-amine;bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;1-fluoro-3,5-dimethylbenzene;methane;3,4,6-trimethylpyridazine;N,4,6-trimethylpyridin-2-amine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine is sourced from PubChem (CID 159597916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).