5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one

C15H24N4O3 — CID 91839408

IUPAC5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCCN1CCN(C(=O)c2cnc(C(C)C)[nH]c2=O)CC1
InChIInChI=1S/C15H24N4O3/c1-11(2)13-16-10-12(14(20)17-13)15(21)19-6-4-18(5-7-19)8-9-22-3/h10-11H,4-9H2,1-3H3,(H,16,17,20)
InChIKeyQNZCNWOYEUKPOV-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.30
Rot. Bonds5

About 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one

5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 91839408) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID91839408
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCCN1CCN(C(=O)c2cnc(C(C)C)[nH]c2=O)CC1
InChIInChI=1S/C15H24N4O3/c1-11(2)13-16-10-12(14(20)17-13)15(21)19-6-4-18(5-7-19)8-9-22-3/h10-11H,4-9H2,1-3H3,(H,16,17,20)
InChIKeyQNZCNWOYEUKPOV-UHFFFAOYSA-N
XLogP0.30
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-isopropyl-5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrimidin-4(3H)-one
CID 56874336
2-Tert-butyl-4-hydroxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-YL)pyrimidine-5-carboxamide
CID 70725285
2-propan-2-yl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554072
2-propan-2-yl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554073
2-tert-butyl-5-[4-(3-methoxypropyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 70733974
4-Hydroxy-N,N-bis(2-methoxyethyl)-2-methylpyrimidine-5-carboxamide
CID 72897875
N-{3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propyl}-4-hydroxy-2-methylpyrimidine-5-carboxamide
CID 72904643
N-ethyl-2-{4-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1-piperazinyl}acetamide
CID 72909858
2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74241342
2-cyclopropyl-N-ethyl-N-(2-morpholin-4-ylethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74241645
Ethyl 4-[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]piperazine-1-carboxylate
CID 74242915
2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82509423

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 91839408) is 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one is COCCN1CCN(C(=O)c2cnc(C(C)C)[nH]c2=O)CC1.
What is the InChIKey of 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is QNZCNWOYEUKPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11(2)13-16-10-12(14(20)17-13)15(21)19-6-4-18(5-7-19)8-9-22-3/h10-11H,4-9H2,1-3H3,(H,16,17,20).
What are the key properties of 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 308.38 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 91839408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).