5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one

C15H23N3O3 — CID 136880715

IUPAC5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCC(C)C1CO
InChIInChI=1S/C15H23N3O3/c1-8(2)13-16-10(4)12(14(20)17-13)15(21)18-6-5-9(3)11(18)7-19/h8-9,11,19H,5-7H2,1-4H3,(H,16,17,20)
InChIKeyLEULQYYIJXHHRQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.04
Rot. Bonds3

About 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one

5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136880715) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136880715
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCC(C)C1CO
InChIInChI=1S/C15H23N3O3/c1-8(2)13-16-10(4)12(14(20)17-13)15(21)18-6-5-9(3)11(18)7-19/h8-9,11,19H,5-7H2,1-4H3,(H,16,17,20)
InChIKeyLEULQYYIJXHHRQ-UHFFFAOYSA-N
XLogP1.04
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
CID 102785360
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 102785588
5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136968770
3-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 102738272
5-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 102784992
5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 102785763
5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 102785247
(3,6-dimethylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738116
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 102738038
cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738013
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102738443
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136960099

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one (CID 136880715) is 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one is Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCC(C)C1CO.
What is the InChIKey of 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is LEULQYYIJXHHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-8(2)13-16-10(4)12(14(20)17-13)15(21)18-6-5-9(3)11(18)7-19/h8-9,11,19H,5-7H2,1-4H3,(H,16,17,20).
What are the key properties of 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 293.37 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136880715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).