N-[(4-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C20H21ClN6 — CID 112891904

IUPACN-[(4-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESClc1ccc(CNc2ccnc(N3CCN(c4ccccn4)CC3)n2)cc1
InChIInChI=1S/C20H21ClN6/c21-17-6-4-16(5-7-17)15-24-18-8-10-23-20(25-18)27-13-11-26(12-14-27)19-3-1-2-9-22-19/h1-10H,11-15H2,(H,23,24,25)
InChIKeyZHGMUGPWKKYBAG-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.46
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

N-[(4-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112891904) has the molecular formula C20H21ClN6 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112891904
Molecular FormulaC20H21ClN6
Molecular Weight380.88 g/mol
Exact Mass380.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESClc1ccc(CNc2ccnc(N3CCN(c4ccccn4)CC3)n2)cc1
InChIInChI=1S/C20H21ClN6/c21-17-6-4-16(5-7-17)15-24-18-8-10-23-20(25-18)27-13-11-26(12-14-27)19-3-1-2-9-22-19/h1-10H,11-15H2,(H,23,24,25)
InChIKeyZHGMUGPWKKYBAG-UHFFFAOYSA-N
XLogP3.46
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112897043
N-benzyl-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 54582423
N-(3-phenylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112898819
2-(azepan-1-yl)-N-benzylpyrimidin-4-amine
CID 112889457
N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 117081146
N-benzyl-2-morpholin-4-ylpyrimidin-4-amine
CID 46891015
N-[(4-chlorophenyl)methyl]-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112918088
1-[4-[4-(benzylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 54587266
N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888087
N-(2-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112898840
N-[(4-methylphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112890443
N-(2,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112898838

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112891904) is N-[(4-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is Clc1ccc(CNc2ccnc(N3CCN(c4ccccn4)CC3)n2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is ZHGMUGPWKKYBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6/c21-17-6-4-16(5-7-17)15-24-18-8-10-23-20(25-18)27-13-11-26(12-14-27)19-3-1-2-9-22-19/h1-10H,11-15H2,(H,23,24,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N-[(4-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 380.88 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112891904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).