(4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone

C23H31N5O — CID 112853850

IUPAC(4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(N3CCCC(C)C3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H31N5O/c1-3-26-12-14-27(15-13-26)23(29)20-16-21(28-11-7-8-18(2)17-28)25-22(24-20)19-9-5-4-6-10-19/h4-6,9-10,16,18H,3,7-8,11-15,17H2,1-2H3
InChIKeyWHMUOQPJUDRODV-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.16
Rot. Bonds4

About (4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone

(4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone (PubChem CID 112853850) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone
PubChem CID112853850
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name(4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(N3CCCC(C)C3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H31N5O/c1-3-26-12-14-27(15-13-26)23(29)20-16-21(28-11-7-8-18(2)17-28)25-22(24-20)19-9-5-4-6-10-19/h4-6,9-10,16,18H,3,7-8,11-15,17H2,1-2H3
InChIKeyWHMUOQPJUDRODV-UHFFFAOYSA-N
XLogP3.16
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone
CID 112852618
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112854369
6-(3-methylpiperidin-1-yl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112854110
[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853497
(4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109084452
(4-ethylpiperazin-1-yl)-[6-(oxolan-2-ylmethylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112853533
[6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852964
[6-(butylamino)-2-phenylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 112852230
[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538840
1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 71564056
(4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109309444
N-(1,1-dioxothiolan-3-yl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-amine
CID 112881510

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone (CID 112853850) is (4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone is CCN1CCN(C(=O)c2cc(N3CCCC(C)C3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone?
The InChIKey is WHMUOQPJUDRODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-3-26-12-14-27(15-13-26)23(29)20-16-21(28-11-7-8-18(2)17-28)25-22(24-20)19-9-5-4-6-10-19/h4-6,9-10,16,18H,3,7-8,11-15,17H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone has a molecular weight of 393.54 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone is sourced from PubChem (CID 112853850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).