2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine

C21H29N5 — CID 123184269

IUPAC2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine
SMILESc1ccc(-c2cnc(NC3CCCCC3)nc2NC2CCCCC2)nc1
InChIInChI=1S/C21H29N5/c1-3-9-16(10-4-1)24-20-18(19-13-7-8-14-22-19)15-23-21(26-20)25-17-11-5-2-6-12-17/h7-8,13-17H,1-6,9-12H2,(H2,23,24,25,26)
InChIKeyABXCUHUSSJWLPM-UHFFFAOYSA-N
MW351.50 g/mol
LogP5.03
Rot. Bonds5

About 2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine

2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine (PubChem CID 123184269) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is 2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine
PubChem CID123184269
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC Name2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine
SMILESc1ccc(-c2cnc(NC3CCCCC3)nc2NC2CCCCC2)nc1
InChIInChI=1S/C21H29N5/c1-3-9-16(10-4-1)24-20-18(19-13-7-8-14-22-19)15-23-21(26-20)25-17-11-5-2-6-12-17/h7-8,13-17H,1-6,9-12H2,(H2,23,24,25,26)
InChIKeyABXCUHUSSJWLPM-UHFFFAOYSA-N
XLogP5.03
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.50
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopentyl-4-pyridin-2-ylpyrimidin-2-amine
CID 14347203
4-[[2-[[(2R,3S)-2,3-difluorobutyl]amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 170445682
4-[[2-[[(2R)-2-fluorobutyl]amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 170437926
[3-[(2-amino-5-pyridin-2-ylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 155582673
2-cyclohexyl-1-[2-[2-[4-[[4-[(4-hydroxycyclohexyl)amino]-5-pyridin-2-ylpyrimidin-2-yl]amino]phenyl]ethynyl]-4-pyridinyl]ethanone
CID 146692444
N-cyclopentyl-5-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 53234793
4-N-cyclohexyl-2-N-(2-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 144944175
N-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 95800139
4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 175747416
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
4-[[2-[4-[2-[4-(1H-pyrazol-5-yl)-2-pyridinyl]ethynyl]anilino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 140928182
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine (CID 123184269) is 2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine is c1ccc(-c2cnc(NC3CCCCC3)nc2NC2CCCCC2)nc1.
What is the InChIKey of 2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine?
The InChIKey is ABXCUHUSSJWLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5/c1-3-9-16(10-4-1)24-20-18(19-13-7-8-14-22-19)15-23-21(26-20)25-17-11-5-2-6-12-17/h7-8,13-17H,1-6,9-12H2,(H2,23,24,25,26).
What are the key properties of 2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine?
2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine has a molecular weight of 351.50 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 123184269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).