N-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine

C25H29N5 — CID 112934438

IUPACN-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
SMILESc1ccc(-c2cc(N3CCN(c4ccccc4)CC3)nc(NC3CCCC3)n2)cc1
InChIInChI=1S/C25H29N5/c1-3-9-20(10-4-1)23-19-24(28-25(27-23)26-21-11-7-8-12-21)30-17-15-29(16-18-30)22-13-5-2-6-14-22/h1-6,9-10,13-14,19,21H,7-8,11-12,15-18H2,(H,26,27,28)
InChIKeyABVIGOOCNIAMTB-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.82
Rot. Bonds5

About N-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine

N-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112934438) has the molecular formula C25H29N5 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112934438
Molecular FormulaC25H29N5
Molecular Weight399.54 g/mol
Exact Mass399.24
IUPAC NameN-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
SMILESc1ccc(-c2cc(N3CCN(c4ccccc4)CC3)nc(NC3CCCC3)n2)cc1
InChIInChI=1S/C25H29N5/c1-3-9-20(10-4-1)23-19-24(28-25(27-23)26-21-11-7-8-12-21)30-17-15-29(16-18-30)22-13-5-2-6-14-22/h1-6,9-10,13-14,19,21H,7-8,11-12,15-18H2,(H,26,27,28)
InChIKeyABVIGOOCNIAMTB-UHFFFAOYSA-N
XLogP4.82
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine
CID 112934434
N-[4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]benzenesulfonamide
CID 170392742
4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112934251
2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112933212
N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923831
N-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
CID 108782198
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 50946262
1-[4-chloro-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-cyclopentylthiourea
CID 100790872
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112884384
4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 19428512
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclohexyl-6-methylpyrimidin-2-amine
CID 50945908

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine (CID 112934438) is N-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine is c1ccc(-c2cc(N3CCN(c4ccccc4)CC3)nc(NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is ABVIGOOCNIAMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5/c1-3-9-20(10-4-1)23-19-24(28-25(27-23)26-21-11-7-8-12-21)30-17-15-29(16-18-30)22-13-5-2-6-14-22/h1-6,9-10,13-14,19,21H,7-8,11-12,15-18H2,(H,26,27,28).
What are the key properties of N-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine?
N-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 399.54 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112934438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).