6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine

C19H19N7 — CID 19144993

IUPAC6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine
SMILESCc1ccc2cccc(Nc3ncnc(-n4nc(C)cc4C)c3N)c2n1
InChIInChI=1S/C19H19N7/c1-11-7-8-14-5-4-6-15(17(14)23-11)24-18-16(20)19(22-10-21-18)26-13(3)9-12(2)25-26/h4-10H,20H2,1-3H3,(H,21,22,24)
InChIKeySDQKOQMMNSKQQA-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.46
Rot. Bonds3

About 6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine

6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine (PubChem CID 19144993) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine
PubChem CID19144993
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine
SMILESCc1ccc2cccc(Nc3ncnc(-n4nc(C)cc4C)c3N)c2n1
InChIInChI=1S/C19H19N7/c1-11-7-8-14-5-4-6-15(17(14)23-11)24-18-16(20)19(22-10-21-18)26-13(3)9-12(2)25-26/h4-10H,20H2,1-3H3,(H,21,22,24)
InChIKeySDQKOQMMNSKQQA-UHFFFAOYSA-N
XLogP3.46
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(2,4-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 19143420
6-N-(2-methylquinolin-8-yl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135607
1-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19144981
6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144885
4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 22541100
1-[3-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547428
4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144951
4-N-(4-bromo-2-fluorophenyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144940
2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol
CID 19141107
6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19149692
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144907
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine
CID 19144945

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine (CID 19144993) is 6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine is Cc1ccc2cccc(Nc3ncnc(-n4nc(C)cc4C)c3N)c2n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine?
The InChIKey is SDQKOQMMNSKQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-11-7-8-14-5-4-6-15(17(14)23-11)24-18-16(20)19(22-10-21-18)26-13(3)9-12(2)25-26/h4-10H,20H2,1-3H3,(H,21,22,24).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine?
6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine has a molecular weight of 345.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19144993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).