2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

C19H24N4O — CID 108736910

IUPAC2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCc1nc(-c2ccccc2)cc(N2CCN(C(=O)C(C)C)CC2)n1
InChIInChI=1S/C19H24N4O/c1-14(2)19(24)23-11-9-22(10-12-23)18-13-17(20-15(3)21-18)16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3
InChIKeyBSAWUPJMDWYBGV-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.76
Rot. Bonds3

About 2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 108736910) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID108736910
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCc1nc(-c2ccccc2)cc(N2CCN(C(=O)C(C)C)CC2)n1
InChIInChI=1S/C19H24N4O/c1-14(2)19(24)23-11-9-22(10-12-23)18-13-17(20-15(3)21-18)16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3
InChIKeyBSAWUPJMDWYBGV-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 108759860
2-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122340964
2-methyl-1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122342201
(3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108759795
1-(2-methyl-6-phenylpyrimidin-4-yl)azepane
CID 16876766
1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 108736956
[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108736867
N-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
CID 108782198
(E)-3-(4-methylphenyl)-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 108759830
1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone
CID 108736942
(4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108759809
(E)-2-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-3-phenylprop-2-enenitrile
CID 108759837

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one (CID 108736910) is 2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one is Cc1nc(-c2ccccc2)cc(N2CCN(C(=O)C(C)C)CC2)n1.
What is the InChIKey of 2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is BSAWUPJMDWYBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14(2)19(24)23-11-9-22(10-12-23)18-13-17(20-15(3)21-18)16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 324.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 108736910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).