4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine

C17H20N6OS — CID 22541918

IUPAC4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(C)cc1Nc1ncnc(Nc2nc(C)c(C)s2)c1N
InChIInChI=1S/C17H20N6OS/c1-9-5-6-13(24-4)12(7-9)22-15-14(18)16(20-8-19-15)23-17-21-10(2)11(3)25-17/h5-8H,18H2,1-4H3,(H2,19,20,21,22,23)
InChIKeyLTGKQDYFHXIRNU-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.94
Rot. Bonds5

About 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine

4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22541918) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22541918
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(C)cc1Nc1ncnc(Nc2nc(C)c(C)s2)c1N
InChIInChI=1S/C17H20N6OS/c1-9-5-6-13(24-4)12(7-9)22-15-14(18)16(20-8-19-15)23-17-21-10(2)11(3)25-17/h5-8H,18H2,1-4H3,(H2,19,20,21,22,23)
InChIKeyLTGKQDYFHXIRNU-UHFFFAOYSA-N
XLogP3.94
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541931
6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541866
6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 23477554
6-N-(2,4-dichlorophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541920
6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19142735
2-[[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile
CID 22541854
4-N-(2-methoxy-5-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541980
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144759
6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22541991
methyl 4-[[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 22541916
6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19148355
6-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541790

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine (CID 22541918) is 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine is COc1ccc(C)cc1Nc1ncnc(Nc2nc(C)c(C)s2)c1N.
What is the InChIKey of 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is LTGKQDYFHXIRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-9-5-6-13(24-4)12(7-9)22-15-14(18)16(20-8-19-15)23-17-21-10(2)11(3)25-17/h5-8H,18H2,1-4H3,(H2,19,20,21,22,23).
What are the key properties of 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine?
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 356.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22541918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).