2-chloro-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C9H10ClN5 — CID 58076158

IUPAC2-chloro-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(Cl)n1
InChIInChI=1S/C9H10ClN5/c1-5-3-7(13-9(10)11-5)12-8-4-6(2)14-15-8/h3-4H,1-2H3,(H2,11,12,13,14,15)
InChIKeyCRJQXLOMFQRQSP-UHFFFAOYSA-N
MW223.67 g/mol
LogP2.21
Rot. Bonds2

About 2-chloro-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-chloro-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 58076158) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID58076158
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name2-chloro-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(Cl)n1
InChIInChI=1S/C9H10ClN5/c1-5-3-7(13-9(10)11-5)12-8-4-6(2)14-15-8/h3-4H,1-2H3,(H2,11,12,13,14,15)
InChIKeyCRJQXLOMFQRQSP-UHFFFAOYSA-N
XLogP2.21
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-Dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 28063903
4,6-dimethyl-N-(5-methyl-4H-1,2,4-triazol-3-yl)pyrimidin-2-amine
CID 1512122
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-amine
CID 2356866
LA 2851
CID 68910
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-2-amine
CID 742814
5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 60154284
7-Hydrazinyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 520838
2,5-Dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2768096
Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, 7-methyl-, hydrochloride (1:?)
CID 3054719
Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N(sup 4),7-dimethyl-, hydrochloride, hydrate (2:2:1)
CID 3054722
Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N,N',7-trimethyl-
CID 3054724
Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, 7-methyl-N(sup 4)-2-propenyl-, hydrochloride, hydrate (1:1:1)
CID 3054727

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 58076158) is 2-chloro-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc(Nc2cc(C)[nH]n2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is CRJQXLOMFQRQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-5-3-7(13-9(10)11-5)12-8-4-6(2)14-15-8/h3-4H,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 2-chloro-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-chloro-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 223.67 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 58076158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).