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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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).