6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine

C11H12ClN5 — CID 80951240

IUPAC6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
SMILESCn1ccc(Nc2cc(Cl)nc(C3CC3)n2)n1
InChIInChI=1S/C11H12ClN5/c1-17-5-4-9(16-17)14-10-6-8(12)13-11(15-10)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15,16)
InChIKeyKVZGMICKODFTKV-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.48
Rot. Bonds3

About 6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine (PubChem CID 80951240) has the molecular formula C11H12ClN5 and a molecular weight of 249.70 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
PubChem CID80951240
Molecular FormulaC11H12ClN5
Molecular Weight249.70 g/mol
Exact Mass249.08
IUPAC Name6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
SMILESCn1ccc(Nc2cc(Cl)nc(C3CC3)n2)n1
InChIInChI=1S/C11H12ClN5/c1-17-5-4-9(16-17)14-10-6-8(12)13-11(15-10)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15,16)
InChIKeyKVZGMICKODFTKV-UHFFFAOYSA-N
XLogP2.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine (CID 80951240) is 6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine is Cn1ccc(Nc2cc(Cl)nc(C3CC3)n2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is KVZGMICKODFTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5/c1-17-5-4-9(16-17)14-10-6-8(12)13-11(15-10)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15,16).
What are the key properties of 6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 249.70 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 80951240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).