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

C14H18N4O3 — CID 135996275

IUPAC2-cyclopropyl-4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCc1nc(C2CC2)[nH]c(=O)c1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C14H18N4O3/c1-7-10(13(20)17-11(16-7)9-3-4-9)14(21)18-6-5-15-12(19)8(18)2/h8-9H,3-6H2,1-2H3,(H,15,19)(H,16,17,20)
InChIKeyOLFYCEPIGAEJRL-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.08
Rot. Bonds2

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

2-cyclopropyl-4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 135996275) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID135996275
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-cyclopropyl-4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCc1nc(C2CC2)[nH]c(=O)c1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C14H18N4O3/c1-7-10(13(20)17-11(16-7)9-3-4-9)14(21)18-6-5-15-12(19)8(18)2/h8-9H,3-6H2,1-2H3,(H,15,19)(H,16,17,20)
InChIKeyOLFYCEPIGAEJRL-UHFFFAOYSA-N
XLogP-0.08
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.08
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-isopropyl-5-{[2-(1-pyrrolidinylcarbonyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56898809
2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74233281
2-cyclopropyl-N-[2-(diisopropylamino)ethyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74248400
2-cyclopropyl-N-{1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl}-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74248649
2-cyclopropyl-3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
CID 83888977
3-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
CID 83888978
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
2-(2,3-dimethyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-N-isobutylpropanamide
CID 118774990

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one (CID 135996275) is 2-cyclopropyl-4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one is Cc1nc(C2CC2)[nH]c(=O)c1C(=O)N1CCNC(=O)C1C.
What is the InChIKey of 2-cyclopropyl-4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is OLFYCEPIGAEJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-7-10(13(20)17-11(16-7)9-3-4-9)14(21)18-6-5-15-12(19)8(18)2/h8-9H,3-6H2,1-2H3,(H,15,19)(H,16,17,20).
What are the key properties of 2-cyclopropyl-4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 290.32 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135996275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).