[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

C20H27N5O — CID 71830649

IUPAC[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCN(c3ccccc3)CC2)nc(N(C)C)n1
InChIInChI=1S/C20H27N5O/c1-15(2)17-14-18(22-20(21-17)23(3)4)19(26)25-12-10-24(11-13-25)16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3
InChIKeyFQJYALHVRAKQAA-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.63
Rot. Bonds4

About [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 71830649) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID71830649
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCN(c3ccccc3)CC2)nc(N(C)C)n1
InChIInChI=1S/C20H27N5O/c1-15(2)17-14-18(22-20(21-17)23(3)4)19(26)25-12-10-24(11-13-25)16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3
InChIKeyFQJYALHVRAKQAA-UHFFFAOYSA-N
XLogP2.63
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109362356
[2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367040
[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331556
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109366887
[4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 26692426
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413
N-methyl-N,4-diphenylpiperazine-1-carboxamide
CID 890140
(4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone
CID 71801413
[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109203088
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109319693
[2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261118
[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109372642

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 71830649) is [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is CC(C)c1cc(C(=O)N2CCN(c3ccccc3)CC2)nc(N(C)C)n1.
What is the InChIKey of [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is FQJYALHVRAKQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-15(2)17-14-18(22-20(21-17)23(3)4)19(26)25-12-10-24(11-13-25)16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3.
What are the key properties of [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 353.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 71830649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).