2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C9H10ClN5 — CID 79779087

IUPAC2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1Nc1cnn(C)c1
InChIInChI=1S/C9H10ClN5/c1-6-3-11-9(10)14-8(6)13-7-4-12-15(2)5-7/h3-5H,1-2H3,(H,11,13,14)
InChIKeyFRAXGABVWIWWRS-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.92
Rot. Bonds2

About 2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine

2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 79779087) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID79779087
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1Nc1cnn(C)c1
InChIInChI=1S/C9H10ClN5/c1-6-3-11-9(10)14-8(6)13-7-4-12-15(2)5-7/h3-5H,1-2H3,(H,11,13,14)
InChIKeyFRAXGABVWIWWRS-UHFFFAOYSA-N
XLogP1.92
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 156636551
5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 105369180
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine
CID 107464314
2-chloro-N-(1-methylpyrazol-4-yl)-9-propan-2-ylpurin-6-amine
CID 118073689
4-chloro-2-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde
CID 80726984
N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79073488
5-bromo-3-chloro-N-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 103582386
N-(4-bromo-3-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79075424
5-methyl-N-(1-methylpyrazol-4-yl)-4-trimethylstannylpyrimidin-2-amine
CID 170573572
2-chloro-6-methoxy-5-methyl-N-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 153384124
2-ethyl-6-N,5-dimethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine
CID 80992962
2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 59174493

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 79779087) is 2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine is Cc1cnc(Cl)nc1Nc1cnn(C)c1.
What is the InChIKey of 2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is FRAXGABVWIWWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-6-3-11-9(10)14-8(6)13-7-4-12-15(2)5-7/h3-5H,1-2H3,(H,11,13,14).
What are the key properties of 2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 223.67 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 79779087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).