2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-1H-pyrimidin-4-amine

C11H14ClN5 — CID 71272578

IUPAC2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-1H-pyrimidin-4-amine
SMILESCC1(Nc2cc(C3CC3)[nH]n2)C=CNC(Cl)=N1
InChIInChI=1S/C11H14ClN5/c1-11(4-5-13-10(12)15-11)14-9-6-8(16-17-9)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,15)(H2,14,16,17)
InChIKeyOTWWQPWOJMXUGD-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.13
Rot. Bonds3

About 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-1H-pyrimidin-4-amine

2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-1H-pyrimidin-4-amine (PubChem CID 71272578) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-1H-pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-1H-pyrimidin-4-amine
PubChem CID71272578
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-1H-pyrimidin-4-amine
SMILESCC1(Nc2cc(C3CC3)[nH]n2)C=CNC(Cl)=N1
InChIInChI=1S/C11H14ClN5/c1-11(4-5-13-10(12)15-11)14-9-6-8(16-17-9)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,15)(H2,14,16,17)
InChIKeyOTWWQPWOJMXUGD-UHFFFAOYSA-N
XLogP2.13
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-1H-pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-1H-pyrimidin-4-amine (CID 71272578) is 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-1H-pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-1H-pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-1H-pyrimidin-4-amine is CC1(Nc2cc(C3CC3)[nH]n2)C=CNC(Cl)=N1.
What is the InChIKey of 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-1H-pyrimidin-4-amine?
The InChIKey is OTWWQPWOJMXUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-11(4-5-13-10(12)15-11)14-9-6-8(16-17-9)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,15)(H2,14,16,17).
What are the key properties of 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-1H-pyrimidin-4-amine?
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-1H-pyrimidin-4-amine has a molecular weight of 251.72 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-1H-pyrimidin-4-amine is sourced from PubChem (CID 71272578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).