2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine

C22H25N5O — CID 112888173

IUPAC2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
SMILESCN1CCN(c2nccc(Nc3ccc(OCc4ccccc4)cc3)n2)CC1
InChIInChI=1S/C22H25N5O/c1-26-13-15-27(16-14-26)22-23-12-11-21(25-22)24-19-7-9-20(10-8-19)28-17-18-5-3-2-4-6-18/h2-12H,13-17H2,1H3,(H,23,24,25)
InChIKeyQNPGENQMIBJHTN-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.55
Rot. Bonds6

About 2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine

2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine (PubChem CID 112888173) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
PubChem CID112888173
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
SMILESCN1CCN(c2nccc(Nc3ccc(OCc4ccccc4)cc3)n2)CC1
InChIInChI=1S/C22H25N5O/c1-26-13-15-27(16-14-26)22-23-12-11-21(25-22)24-19-7-9-20(10-8-19)28-17-18-5-3-2-4-6-18/h2-12H,13-17H2,1H3,(H,23,24,25)
InChIKeyQNPGENQMIBJHTN-UHFFFAOYSA-N
XLogP3.55
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112888158
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine
CID 112901716
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884090
2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 46891062
N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112901738
2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112896348
N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297617
N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884582
4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112901890
6-fluoro-N-(4-phenylmethoxyphenyl)pyridin-2-amine
CID 130565967
N-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888177
N-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896527

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine (CID 112888173) is 2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine is CN1CCN(c2nccc(Nc3ccc(OCc4ccccc4)cc3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine?
The InChIKey is QNPGENQMIBJHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26-13-15-27(16-14-26)22-23-12-11-21(25-22)24-19-7-9-20(10-8-19)28-17-18-5-3-2-4-6-18/h2-12H,13-17H2,1H3,(H,23,24,25).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine?
2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112888173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).