N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

C22H25N5 — CID 112859172

IUPACN-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1ccc(CNc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1
InChIInChI=1S/C22H25N5/c1-18-7-9-19(10-8-18)16-23-21-15-22(25-17-24-21)27-13-11-26(12-14-27)20-5-3-2-4-6-20/h2-10,15,17H,11-14,16H2,1H3,(H,23,24,25)
InChIKeyFGNMIMZGRQBASU-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.72
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112859172) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112859172
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC NameN-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1ccc(CNc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1
InChIInChI=1S/C22H25N5/c1-18-7-9-19(10-8-18)16-23-21-15-22(25-17-24-21)27-13-11-26(12-14-27)20-5-3-2-4-6-20/h2-10,15,17H,11-14,16H2,1H3,(H,23,24,25)
InChIKeyFGNMIMZGRQBASU-UHFFFAOYSA-N
XLogP3.72
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859720
N-[(4-methylphenyl)methyl]-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112859187
N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862245
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112872910
N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112856870
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858906
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90545188
N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112857585
2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545410
N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859300

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 112859172) is N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is Cc1ccc(CNc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is FGNMIMZGRQBASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-18-7-9-19(10-8-18)16-23-21-15-22(25-17-24-21)27-13-11-26(12-14-27)20-5-3-2-4-6-20/h2-10,15,17H,11-14,16H2,1H3,(H,23,24,25).
What are the key properties of N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 359.48 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112859172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).