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

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Related Compounds

2-[[4-(1-fluoroethoxy)cyclohexyl]amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carbonitrile
CID 118375415
2-[(4-hydroxycyclohexyl)amino]-4-[[(1R,3S)-3-methylcycloheptyl]amino]pyrimidine-5-carbonitrile
CID 163447423
4-(cyclopentylamino)-2-(piperidin-4-ylamino)pyrimidine-5-carbonitrile
CID 164855035
4-[[(3S)-3-hydroxycyclohexyl]amino]-2-[(4-methoxy-1-methylcyclohexyl)amino]pyrimidine-5-carbonitrile
CID 118534954
4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile
CID 4163635
2-[(4-ethoxycyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycycloheptyl]methyl]pyrimidine-5-carbonitrile
CID 158325105
4-[[(3S)-3-hydroxy-3-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carbonitrile
CID 135290946
2-[(4-ethoxycyclohexyl)amino]-4-(oxan-4-ylamino)pyrimidine-5-carbonitrile
CID 71238805
2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile
CID 158219239
3,5-difluoro-4-[[2-[[(1R)-3-hydroxycyclohexyl]amino]-9-methylpurin-8-yl]amino]benzonitrile
CID 146587084
4-amino-2-(cyclopropylamino)pyrimidine-5-carbonitrile
CID 25020947
2-[(4-ethoxycyclohexyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66576009

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).