4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one

C14H20N4O3 — CID 135996276

IUPAC4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C14H20N4O3/c1-7(2)11-16-8(3)10(13(20)17-11)14(21)18-6-5-15-12(19)9(18)4/h7,9H,5-6H2,1-4H3,(H,15,19)(H,16,17,20)
InChIKeyMMNIVBGWBYCQCO-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.16
Rot. Bonds2

About 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one

4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135996276) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135996276
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C14H20N4O3/c1-7(2)11-16-8(3)10(13(20)17-11)14(21)18-6-5-15-12(19)9(18)4/h7,9H,5-6H2,1-4H3,(H,15,19)(H,16,17,20)
InChIKeyMMNIVBGWBYCQCO-UHFFFAOYSA-N
XLogP0.16
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide
CID 125168747
2-tert-butyl-4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrimidine-5-carboxamide;hydrochloride
CID 137161908
2-tert-butyl-4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrimidine-5-carboxamide
CID 137161909
2-isopropyl-5-{[2-(1-pyrrolidinylcarbonyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56898809
6,9-dimethyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
CID 145369706
N-ethyl-2-{4-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1-piperazinyl}acetamide
CID 72909858
2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74233281
2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82510676
2-propan-2-yl-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 95724112
2-propan-2-yl-5-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 95724113
2-cyclopropyl-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97872291
2-cyclopropyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97872292

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 135996276) is 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one is Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCNC(=O)C1C.
What is the InChIKey of 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MMNIVBGWBYCQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-7(2)11-16-8(3)10(13(20)17-11)14(21)18-6-5-15-12(19)9(18)4/h7,9H,5-6H2,1-4H3,(H,15,19)(H,16,17,20).
What are the key properties of 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 292.34 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135996276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).