2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine

C21H23N5O — CID 112901716

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine
SMILESCOc1ccc(N2CCN(c3nccc(Nc4ccccc4)n3)CC2)cc1
InChIInChI=1S/C21H23N5O/c1-27-19-9-7-18(8-10-19)25-13-15-26(16-14-25)21-22-12-11-20(24-21)23-17-5-3-2-4-6-17/h2-12H,13-16H2,1H3,(H,22,23,24)
InChIKeyJAQOHCFGHOCDEY-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.56
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine (PubChem CID 112901716) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine
PubChem CID112901716
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine
SMILESCOc1ccc(N2CCN(c3nccc(Nc4ccccc4)n3)CC2)cc1
InChIInChI=1S/C21H23N5O/c1-27-19-9-7-18(8-10-19)25-13-15-26(16-14-25)21-22-12-11-20(24-21)23-17-5-3-2-4-6-17/h2-12H,13-16H2,1H3,(H,22,23,24)
InChIKeyJAQOHCFGHOCDEY-UHFFFAOYSA-N
XLogP3.56
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112901738
N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896526
N-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896527
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884090
N-cyclohexyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884822
2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
CID 112888173
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine
CID 112898533
N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896522
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 112890301
N-(4-methoxyphenyl)-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 57399456
[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
CID 94672786
N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896496

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine (CID 112901716) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine is COc1ccc(N2CCN(c3nccc(Nc4ccccc4)n3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine?
The InChIKey is JAQOHCFGHOCDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-27-19-9-7-18(8-10-19)25-13-15-26(16-14-25)21-22-12-11-20(24-21)23-17-5-3-2-4-6-17/h2-12H,13-16H2,1H3,(H,22,23,24).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine has a molecular weight of 361.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 112901716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).