(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone

C18H21N3O — CID 110856145

IUPAC(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N1CCCC(C)C1
InChIInChI=1S/C18H21N3O/c1-13-7-6-10-21(12-13)18(22)16-11-19-17(20-14(16)2)15-8-4-3-5-9-15/h3-5,8-9,11,13H,6-7,10,12H2,1-2H3
InChIKeyNHVLLYQHJXYAKZ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.32
Rot. Bonds2

About (4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone

(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 110856145) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID110856145
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N1CCCC(C)C1
InChIInChI=1S/C18H21N3O/c1-13-7-6-10-21(12-13)18(22)16-11-19-17(20-14(16)2)15-8-4-3-5-9-15/h3-5,8-9,11,13H,6-7,10,12H2,1-2H3
InChIKeyNHVLLYQHJXYAKZ-UHFFFAOYSA-N
XLogP3.32
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide
CID 128984238
(4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone
CID 119062800
(3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 70767205
1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
CID 136567066
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251
(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
CID 110683661
(4-benzhydrylpiperazin-1-yl)-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 100753052
(4-methyl-2-phenylpyrimidin-5-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 119070432
1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 72939622
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 99635559
[2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 124938243
(1-chloroisoquinolin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 106765847

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone (CID 110856145) is (4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone is Cc1nc(-c2ccccc2)ncc1C(=O)N1CCCC(C)C1.
What is the InChIKey of (4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is NHVLLYQHJXYAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-7-6-10-21(12-13)18(22)16-11-19-17(20-14(16)2)15-8-4-3-5-9-15/h3-5,8-9,11,13H,6-7,10,12H2,1-2H3.
What are the key properties of (4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone?
(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 295.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110856145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).