5-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

C15H22N4O3 — CID 97127641

IUPAC5-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C15H22N4O3/c1-4-5-6-12-15(22)18(3)7-8-19(12)14(21)11-9-16-10(2)17-13(11)20/h9,12H,4-8H2,1-3H3,(H,16,17,20)/t12-/m0/s1
InChIKeyDTFGFXKHZWDVCD-LBPRGKRZSA-N
MW306.37 g/mol
LogP0.55
Rot. Bonds4

About 5-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

5-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 97127641) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID97127641
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name5-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C15H22N4O3/c1-4-5-6-12-15(22)18(3)7-8-19(12)14(21)11-9-16-10(2)17-13(11)20/h9,12H,4-8H2,1-3H3,(H,16,17,20)/t12-/m0/s1
InChIKeyDTFGFXKHZWDVCD-LBPRGKRZSA-N
XLogP0.55
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-Dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 214583
5-({2-[2-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56914559
(2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 70752051
5-({4-[1-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 70752567
N,N-dimethyl-2-{(1S*,5R*)-6-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-3,6-diazabicyclo[3.2.2]non-3-yl}acetamide
CID 70758746
3-[(4-Hydroxy-2-methylpyrimidin-5-yl)carbonyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 72839361
2-Methyl-5-{[3-(2-methylpiperidin-1-yl)azetidin-1-yl]carbonyl}pyrimidin-4-ol
CID 72877288
3-Butyl-4-[(4-hydroxy-2-methylpyrimidin-5-yl)carbonyl]-1-methylpiperazin-2-one
CID 72878704
N-ethyl-2-{4-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1-piperazinyl}acetamide
CID 72909858
2-cyclopropyl-N-{1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl}-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74248649
5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95896274
5-[(2S)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95896275

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (CID 97127641) is 5-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cnc(C)[nH]c1=O.
What is the InChIKey of 5-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is DTFGFXKHZWDVCD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-4-5-6-12-15(22)18(3)7-8-19(12)14(21)11-9-16-10(2)17-13(11)20/h9,12H,4-8H2,1-3H3,(H,16,17,20)/t12-/m0/s1.
What are the key properties of 5-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
5-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 306.37 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 97127641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).