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

C23H27N5O — CID 112890544

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCOc1ccccc1N1CCN(c2nccc(NC(C)c3ccccc3)n2)CC1
InChIInChI=1S/C23H27N5O/c1-18(19-8-4-3-5-9-19)25-22-12-13-24-23(26-22)28-16-14-27(15-17-28)20-10-6-7-11-21(20)29-2/h3-13,18H,14-17H2,1-2H3,(H,24,25,26)
InChIKeyCSTIFAWDDDDQQM-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.98
Rot. Bonds6

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

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine (PubChem CID 112890544) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine
PubChem CID112890544
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCOc1ccccc1N1CCN(c2nccc(NC(C)c3ccccc3)n2)CC1
InChIInChI=1S/C23H27N5O/c1-18(19-8-4-3-5-9-19)25-22-12-13-24-23(26-22)28-16-14-27(15-17-28)20-10-6-7-11-21(20)29-2/h3-13,18H,14-17H2,1-2H3,(H,24,25,26)
InChIKeyCSTIFAWDDDDQQM-UHFFFAOYSA-N
XLogP3.98
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898253
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112888381
N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884797
2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112890533
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)pyrimidin-4-amine
CID 112893947
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine
CID 112898256
2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile
CID 163343712
2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 112882012
(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 46832946
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 155823172
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297521
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112883531

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine (CID 112890544) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine is COc1ccccc1N1CCN(c2nccc(NC(C)c3ccccc3)n2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine?
The InChIKey is CSTIFAWDDDDQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-18(19-8-4-3-5-9-19)25-22-12-13-24-23(26-22)28-16-14-27(15-17-28)20-10-6-7-11-21(20)29-2/h3-13,18H,14-17H2,1-2H3,(H,24,25,26).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine has a molecular weight of 389.50 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 112890544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).