4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine

C18H19ClN6O — CID 155203798

IUPAC4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCc1cnc(Nc2cnn(C3CCOCC3)c2)nc1-c1ccc(Cl)nc1
InChIInChI=1S/C18H19ClN6O/c1-12-8-21-18(24-17(12)13-2-3-16(19)20-9-13)23-14-10-22-25(11-14)15-4-6-26-7-5-15/h2-3,8-11,15H,4-7H2,1H3,(H,21,23,24)
InChIKeyBLPWICDUISOZPE-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.79
Rot. Bonds4

About 4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine

4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 155203798) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID155203798
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCc1cnc(Nc2cnn(C3CCOCC3)c2)nc1-c1ccc(Cl)nc1
InChIInChI=1S/C18H19ClN6O/c1-12-8-21-18(24-17(12)13-2-3-16(19)20-9-13)23-14-10-22-25(11-14)15-4-6-26-7-5-15/h2-3,8-11,15H,4-7H2,1H3,(H,21,23,24)
InChIKeyBLPWICDUISOZPE-UHFFFAOYSA-N
XLogP3.79
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine (CID 155203798) is 4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine is Cc1cnc(Nc2cnn(C3CCOCC3)c2)nc1-c1ccc(Cl)nc1.
What is the InChIKey of 4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is BLPWICDUISOZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-12-8-21-18(24-17(12)13-2-3-16(19)20-9-13)23-14-10-22-25(11-14)15-4-6-26-7-5-15/h2-3,8-11,15H,4-7H2,1H3,(H,21,23,24).
What are the key properties of 4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 370.84 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 155203798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).