2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile

C17H25N5O — CID 77147194

IUPAC2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NC2CCCCC2)nc1NC1CCCC(O)C1
InChIInChI=1S/C17H25N5O/c18-10-12-11-19-17(21-13-5-2-1-3-6-13)22-16(12)20-14-7-4-8-15(23)9-14/h11,13-15,23H,1-9H2,(H2,19,20,21,22)
InChIKeyBYUSGSPPFPGDOW-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.81
Rot. Bonds4

About 2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile

2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile (PubChem CID 77147194) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile
PubChem CID77147194
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NC2CCCCC2)nc1NC1CCCC(O)C1
InChIInChI=1S/C17H25N5O/c18-10-12-11-19-17(21-13-5-2-1-3-6-13)22-16(12)20-14-7-4-8-15(23)9-14/h11,13-15,23H,1-9H2,(H2,19,20,21,22)
InChIKeyBYUSGSPPFPGDOW-UHFFFAOYSA-N
XLogP2.81
TPSA93.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile 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 2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile?
The IUPAC name of 2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile (CID 77147194) is 2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile is N#Cc1cnc(NC2CCCCC2)nc1NC1CCCC(O)C1.
What is the InChIKey of 2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile?
The InChIKey is BYUSGSPPFPGDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c18-10-12-11-19-17(21-13-5-2-1-3-6-13)22-16(12)20-14-7-4-8-15(23)9-14/h11,13-15,23H,1-9H2,(H2,19,20,21,22).
What are the key properties of 2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile?
2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile has a molecular weight of 315.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 77147194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).