4-(cyclopentylamino)-2-(piperidin-4-ylamino)pyrimidine-5-carbonitrile

C15H22N6 — CID 164855035

IUPAC4-(cyclopentylamino)-2-(piperidin-4-ylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NC2CCNCC2)nc1NC1CCCC1
InChIInChI=1S/C15H22N6/c16-9-11-10-18-15(20-13-5-7-17-8-6-13)21-14(11)19-12-3-1-2-4-12/h10,12-13,17H,1-8H2,(H2,18,19,20,21)
InChIKeyVGZLUOBEEXGOQN-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.87
Rot. Bonds4

About 4-(cyclopentylamino)-2-(piperidin-4-ylamino)pyrimidine-5-carbonitrile

4-(cyclopentylamino)-2-(piperidin-4-ylamino)pyrimidine-5-carbonitrile (PubChem CID 164855035) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(cyclopentylamino)-2-(piperidin-4-ylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(cyclopentylamino)-2-(piperidin-4-ylamino)pyrimidine-5-carbonitrile
PubChem CID164855035
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name4-(cyclopentylamino)-2-(piperidin-4-ylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NC2CCNCC2)nc1NC1CCCC1
InChIInChI=1S/C15H22N6/c16-9-11-10-18-15(20-13-5-7-17-8-6-13)21-14(11)19-12-3-1-2-4-12/h10,12-13,17H,1-8H2,(H2,18,19,20,21)
InChIKeyVGZLUOBEEXGOQN-UHFFFAOYSA-N
XLogP1.87
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile
CID 77147194
2-[(4-hydroxycyclohexyl)amino]-4-[[(1R,3S)-3-methylcycloheptyl]amino]pyrimidine-5-carbonitrile
CID 163447423
4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile
CID 4163635
2-[(4-ethoxycyclohexyl)amino]-4-(oxan-4-ylamino)pyrimidine-5-carbonitrile
CID 71238805
4-amino-2-(cyclopropylamino)pyrimidine-5-carbonitrile
CID 25020947
4-[[(3S)-3-hydroxy-3-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carbonitrile
CID 135290946
5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 54274609
2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile
CID 158219239
2-[[4-(1-fluoroethoxy)cyclohexyl]amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carbonitrile
CID 118375415
2-(azepan-4-ylamino)-5-nitropyridine-3-carbonitrile
CID 107173872
1-(piperidin-4-ylamino)isoquinoline-8-carbonitrile
CID 82571269
4-[[(1R,3S)-3-hydroxy-3-methylcyclohexyl]amino]-2-[[4-(2,2,2-trifluoroethoxy)cyclohexyl]amino]pyrimidine-5-carbonitrile
CID 71237794

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-2-(piperidin-4-ylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-(cyclopentylamino)-2-(piperidin-4-ylamino)pyrimidine-5-carbonitrile (CID 164855035) is 4-(cyclopentylamino)-2-(piperidin-4-ylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(cyclopentylamino)-2-(piperidin-4-ylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(cyclopentylamino)-2-(piperidin-4-ylamino)pyrimidine-5-carbonitrile is N#Cc1cnc(NC2CCNCC2)nc1NC1CCCC1.
What is the InChIKey of 4-(cyclopentylamino)-2-(piperidin-4-ylamino)pyrimidine-5-carbonitrile?
The InChIKey is VGZLUOBEEXGOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c16-9-11-10-18-15(20-13-5-7-17-8-6-13)21-14(11)19-12-3-1-2-4-12/h10,12-13,17H,1-8H2,(H2,18,19,20,21).
What are the key properties of 4-(cyclopentylamino)-2-(piperidin-4-ylamino)pyrimidine-5-carbonitrile?
4-(cyclopentylamino)-2-(piperidin-4-ylamino)pyrimidine-5-carbonitrile has a molecular weight of 286.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-2-(piperidin-4-ylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 164855035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).