6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine

C14H17N7S — CID 19149692

IUPAC6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine
SMILESCc1cc(C)n(-c2ncnc(Nc3nc(C)c(C)s3)c2N)n1
InChIInChI=1S/C14H17N7S/c1-7-5-8(2)21(20-7)13-11(15)12(16-6-17-13)19-14-18-9(3)10(4)22-14/h5-6H,15H2,1-4H3,(H,16,17,18,19)
InChIKeyRAHSPWWGPZOHIJ-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.68
Rot. Bonds3

About 6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine

6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine (PubChem CID 19149692) has the molecular formula C14H17N7S and a molecular weight of 315.41 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine
PubChem CID19149692
Molecular FormulaC14H17N7S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine
SMILESCc1cc(C)n(-c2ncnc(Nc3nc(C)c(C)s3)c2N)n1
InChIInChI=1S/C14H17N7S/c1-7-5-8(2)21(20-7)13-11(15)12(16-6-17-13)19-14-18-9(3)10(4)22-14/h5-6H,15H2,1-4H3,(H,16,17,18,19)
InChIKeyRAHSPWWGPZOHIJ-UHFFFAOYSA-N
XLogP2.68
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 23477554
4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 22541100
4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine
CID 19152787
6-(3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-4,5-diamine
CID 19135549
4-N-(2,4-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 19143420
6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine
CID 19144993
4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine
CID 23477640
6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19148355
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine
CID 19140820
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 19154412
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541918
6-N-(3-chloro-4-fluorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19149642

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine (CID 19149692) is 6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine is Cc1cc(C)n(-c2ncnc(Nc3nc(C)c(C)s3)c2N)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine?
The InChIKey is RAHSPWWGPZOHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7S/c1-7-5-8(2)21(20-7)13-11(15)12(16-6-17-13)19-14-18-9(3)10(4)22-14/h5-6H,15H2,1-4H3,(H,16,17,18,19).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine?
6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine has a molecular weight of 315.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19149692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).