1-[4-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone

C20H27N5O — CID 112879786

IUPAC1-[4-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(NCC(C)C)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H27N5O/c1-15(2)14-21-18-13-19(25-11-9-24(10-12-25)16(3)26)23-20(22-18)17-7-5-4-6-8-17/h4-8,13,15H,9-12,14H2,1-3H3,(H,21,22,23)
InChIKeyYRFSFVZPIIAHFL-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.88
Rot. Bonds5

About 1-[4-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 112879786) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[4-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID112879786
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name1-[4-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(NCC(C)C)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H27N5O/c1-15(2)14-21-18-13-19(25-11-9-24(10-12-25)16(3)26)23-20(22-18)17-7-5-4-6-8-17/h4-8,13,15H,9-12,14H2,1-3H3,(H,21,22,23)
InChIKeyYRFSFVZPIIAHFL-UHFFFAOYSA-N
XLogP2.88
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-yl)-N-(2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 112879821
[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112852347
ethyl 4-[6-(butan-2-ylamino)-2-phenylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112879888
(4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112852344
3-[[6-(4-acetylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881144
N-[2-[[2-phenyl-6-[4-(4-phenylbut-3-enoyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide
CID 68535268
6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851582
N-[2-[[6-[4-(5-nitrothiophene-3-carbonyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide
CID 22353338
N-[2-[[6-[4-(2-hydroxy-3-methylbenzoyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide
CID 22378739
N-[2-[[6-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide
CID 22379039
2-phenyl-6-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine
CID 112879295
ethyl 4-[2-(2-methylpropylamino)-6-phenylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112933843

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone (CID 112879786) is 1-[4-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(NCC(C)C)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-[4-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is YRFSFVZPIIAHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-15(2)14-21-18-13-19(25-11-9-24(10-12-25)16(3)26)23-20(22-18)17-7-5-4-6-8-17/h4-8,13,15H,9-12,14H2,1-3H3,(H,21,22,23).
What are the key properties of 1-[4-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 353.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112879786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).