2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine

C14H12ClN5 — CID 131801139

IUPAC2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine
SMILESCn1ccc(-c2ccccc2Nc2ccnc(Cl)n2)n1
InChIInChI=1S/C14H12ClN5/c1-20-9-7-12(19-20)10-4-2-3-5-11(10)17-13-6-8-16-14(15)18-13/h2-9H,1H3,(H,16,17,18)
InChIKeyOIEVYHQIZYDBEY-UHFFFAOYSA-N
MW285.74 g/mol
LogP3.27
Rot. Bonds3

About 2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine

2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine (PubChem CID 131801139) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is 2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine
PubChem CID131801139
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine
SMILESCn1ccc(-c2ccccc2Nc2ccnc(Cl)n2)n1
InChIInChI=1S/C14H12ClN5/c1-20-9-7-12(19-20)10-4-2-3-5-11(10)17-13-6-8-16-14(15)18-13/h2-9H,1H3,(H,16,17,18)
InChIKeyOIEVYHQIZYDBEY-UHFFFAOYSA-N
XLogP3.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine (CID 131801139) is 2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine is Cn1ccc(-c2ccccc2Nc2ccnc(Cl)n2)n1.
What is the InChIKey of 2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine?
The InChIKey is OIEVYHQIZYDBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c1-20-9-7-12(19-20)10-4-2-3-5-11(10)17-13-6-8-16-14(15)18-13/h2-9H,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine?
2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine has a molecular weight of 285.74 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 131801139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).