6-chloro-N-(4,4-difluorocyclohexyl)-2-[methylamino(2-methylpropyl)amino]pyrimidin-4-amine

C15H24ClF2N5 — CID 163831089

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-2-[methylamino(2-methylpropyl)amino]pyrimidin-4-amine
SMILESCNN(CC(C)C)c1nc(Cl)cc(NC2CCC(F)(F)CC2)n1
InChIInChI=1S/C15H24ClF2N5/c1-10(2)9-23(19-3)14-21-12(16)8-13(22-14)20-11-4-6-15(17,18)7-5-11/h8,10-11,19H,4-7,9H2,1-3H3,(H,20,21,22)
InChIKeyODRYXOOPPOTKEU-UHFFFAOYSA-N
MW347.84 g/mol
LogP3.72
Rot. Bonds6

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-[methylamino(2-methylpropyl)amino]pyrimidin-4-amine

6-chloro-N-(4,4-difluorocyclohexyl)-2-[methylamino(2-methylpropyl)amino]pyrimidin-4-amine (PubChem CID 163831089) has the molecular formula C15H24ClF2N5 and a molecular weight of 347.84 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-[methylamino(2-methylpropyl)amino]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)-2-[methylamino(2-methylpropyl)amino]pyrimidin-4-amine
PubChem CID163831089
Molecular FormulaC15H24ClF2N5
Molecular Weight347.84 g/mol
Exact Mass347.17
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-2-[methylamino(2-methylpropyl)amino]pyrimidin-4-amine
SMILESCNN(CC(C)C)c1nc(Cl)cc(NC2CCC(F)(F)CC2)n1
InChIInChI=1S/C15H24ClF2N5/c1-10(2)9-23(19-3)14-21-12(16)8-13(22-14)20-11-4-6-15(17,18)7-5-11/h8,10-11,19H,4-7,9H2,1-3H3,(H,20,21,22)
InChIKeyODRYXOOPPOTKEU-UHFFFAOYSA-N
XLogP3.72
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-N-(4,4-difluorocyclohexyl)-2-[methylamino(2-methylpropyl)amino]pyrimidin-4-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 6-chloro-N-(4,4-difluorocyclohexyl)-2-[methylamino(2-methylpropyl)amino]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-[methylamino(2-methylpropyl)amino]pyrimidin-4-amine (CID 163831089) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-[methylamino(2-methylpropyl)amino]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-[methylamino(2-methylpropyl)amino]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-[methylamino(2-methylpropyl)amino]pyrimidin-4-amine is CNN(CC(C)C)c1nc(Cl)cc(NC2CCC(F)(F)CC2)n1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-[methylamino(2-methylpropyl)amino]pyrimidin-4-amine?
The InChIKey is ODRYXOOPPOTKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClF2N5/c1-10(2)9-23(19-3)14-21-12(16)8-13(22-14)20-11-4-6-15(17,18)7-5-11/h8,10-11,19H,4-7,9H2,1-3H3,(H,20,21,22).
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-[methylamino(2-methylpropyl)amino]pyrimidin-4-amine?
6-chloro-N-(4,4-difluorocyclohexyl)-2-[methylamino(2-methylpropyl)amino]pyrimidin-4-amine has a molecular weight of 347.84 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4-difluorocyclohexyl)-2-[methylamino(2-methylpropyl)amino]pyrimidin-4-amine is sourced from PubChem (CID 163831089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).