2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C15H14ClN5 — CID 106715801

IUPAC2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCNc1cc(-c2cnn(C)c2)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H14ClN5/c1-17-14-7-13(10-8-18-21(2)9-10)19-15(20-14)11-5-3-4-6-12(11)16/h3-9H,1-2H3,(H,17,19,20)
InChIKeyXGPYOAHDFIRMIV-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.24
Rot. Bonds3

About 2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 106715801) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID106715801
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCNc1cc(-c2cnn(C)c2)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H14ClN5/c1-17-14-7-13(10-8-18-21(2)9-10)19-15(20-14)11-5-3-4-6-12(11)16/h3-9H,1-2H3,(H,17,19,20)
InChIKeyXGPYOAHDFIRMIV-UHFFFAOYSA-N
XLogP3.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine
CID 106715813
N-methyl-6-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716022
N-methyl-6-(1-methylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
CID 106716000
N-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 106715777
4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715433
[2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-yl]hydrazine
CID 62251648
N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine
CID 106716024
N-methyl-6-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)pyrimidin-4-amine
CID 106715810
2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715837
methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate
CID 106715741
4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine
CID 43557664
[2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716181

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 106715801) is 2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is CNc1cc(-c2cnn(C)c2)nc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is XGPYOAHDFIRMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-17-14-7-13(10-8-18-21(2)9-10)19-15(20-14)11-5-3-4-6-12(11)16/h3-9H,1-2H3,(H,17,19,20).
What are the key properties of 2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 299.77 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 106715801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).