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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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).