4-amino-2-[(4-cyclopentylpiperazin-1-yl)methyl]pyrimidine-5-carbonitrile

C15H22N6 — CID 166297069

IUPAC4-amino-2-[(4-cyclopentylpiperazin-1-yl)methyl]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(CN2CCN(C3CCCC3)CC2)nc1N
InChIInChI=1S/C15H22N6/c16-9-12-10-18-14(19-15(12)17)11-20-5-7-21(8-6-20)13-3-1-2-4-13/h10,13H,1-8,11H2,(H2,17,18,19)
InChIKeyBQZSXQHHRZJRPW-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.99
Rot. Bonds3

About 4-amino-2-[(4-cyclopentylpiperazin-1-yl)methyl]pyrimidine-5-carbonitrile

4-amino-2-[(4-cyclopentylpiperazin-1-yl)methyl]pyrimidine-5-carbonitrile (PubChem CID 166297069) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-2-[(4-cyclopentylpiperazin-1-yl)methyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[(4-cyclopentylpiperazin-1-yl)methyl]pyrimidine-5-carbonitrile
PubChem CID166297069
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name4-amino-2-[(4-cyclopentylpiperazin-1-yl)methyl]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(CN2CCN(C3CCCC3)CC2)nc1N
InChIInChI=1S/C15H22N6/c16-9-12-10-18-14(19-15(12)17)11-20-5-7-21(8-6-20)13-3-1-2-4-13/h10,13H,1-8,11H2,(H2,17,18,19)
InChIKeyBQZSXQHHRZJRPW-UHFFFAOYSA-N
XLogP0.99
TPSA82.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4-cyclopentylpiperazin-1-yl)methyl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[(4-cyclopentylpiperazin-1-yl)methyl]pyrimidine-5-carbonitrile (CID 166297069) is 4-amino-2-[(4-cyclopentylpiperazin-1-yl)methyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[(4-cyclopentylpiperazin-1-yl)methyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[(4-cyclopentylpiperazin-1-yl)methyl]pyrimidine-5-carbonitrile is N#Cc1cnc(CN2CCN(C3CCCC3)CC2)nc1N.
What is the InChIKey of 4-amino-2-[(4-cyclopentylpiperazin-1-yl)methyl]pyrimidine-5-carbonitrile?
The InChIKey is BQZSXQHHRZJRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c16-9-12-10-18-14(19-15(12)17)11-20-5-7-21(8-6-20)13-3-1-2-4-13/h10,13H,1-8,11H2,(H2,17,18,19).
What are the key properties of 4-amino-2-[(4-cyclopentylpiperazin-1-yl)methyl]pyrimidine-5-carbonitrile?
4-amino-2-[(4-cyclopentylpiperazin-1-yl)methyl]pyrimidine-5-carbonitrile has a molecular weight of 286.38 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(4-cyclopentylpiperazin-1-yl)methyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 166297069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).