2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine

C20H27N5 — CID 112884158

IUPAC2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine
SMILESc1ccc(CN2CCN(c3nccc(NC4CCCC4)n3)CC2)cc1
InChIInChI=1S/C20H27N5/c1-2-6-17(7-3-1)16-24-12-14-25(15-13-24)20-21-11-10-19(23-20)22-18-8-4-5-9-18/h1-3,6-7,10-11,18H,4-5,8-9,12-16H2,(H,21,22,23)
InChIKeyOHUSSHRTYPQEHZ-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.15
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine

2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine (PubChem CID 112884158) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine
PubChem CID112884158
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine
SMILESc1ccc(CN2CCN(c3nccc(NC4CCCC4)n3)CC2)cc1
InChIInChI=1S/C20H27N5/c1-2-6-17(7-3-1)16-24-12-14-25(15-13-24)20-21-11-10-19(23-20)22-18-8-4-5-9-18/h1-3,6-7,10-11,18H,4-5,8-9,12-16H2,(H,21,22,23)
InChIKeyOHUSSHRTYPQEHZ-UHFFFAOYSA-N
XLogP3.15
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine
CID 112942226
2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 142861903
N-cycloheptyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112884682
N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884053
2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112890533
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
N-benzyl-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 54582423
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901667
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901713
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine (CID 112884158) is 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine is c1ccc(CN2CCN(c3nccc(NC4CCCC4)n3)CC2)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine?
The InChIKey is OHUSSHRTYPQEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-2-6-17(7-3-1)16-24-12-14-25(15-13-24)20-21-11-10-19(23-20)22-18-8-4-5-9-18/h1-3,6-7,10-11,18H,4-5,8-9,12-16H2,(H,21,22,23).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine?
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine has a molecular weight of 337.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine is sourced from PubChem (CID 112884158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).