5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C11H15N3O4 — CID 102785247

IUPAC5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1CO
InChIInChI=1S/C11H15N3O4/c1-6-2-3-14(8(6)5-15)10(17)7-4-12-11(18)13-9(7)16/h4,6,8,15H,2-3,5H2,1H3,(H2,12,13,16,18)
InChIKeyACLZUJKCSBPPRS-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.09
Rot. Bonds2

About 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 102785247) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID102785247
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1CO
InChIInChI=1S/C11H15N3O4/c1-6-2-3-14(8(6)5-15)10(17)7-4-12-11(18)13-9(7)16/h4,6,8,15H,2-3,5H2,1H3,(H2,12,13,16,18)
InChIKeyACLZUJKCSBPPRS-UHFFFAOYSA-N
XLogP-1.09
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 102738272
5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 66061161
methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate
CID 61010258
(3,6-dimethylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738116
(2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28773312
5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 103575831
(2-amino-5-bromophenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102782840
(5-amino-2-methylphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102777011
(5-fluoro-2-hydroxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738496
6-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 102785227
(5-bromo-2-methylphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738277
(4-bromo-2-hydroxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102737810

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 102785247) is 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione is CC1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1CO.
What is the InChIKey of 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is ACLZUJKCSBPPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6-2-3-14(8(6)5-15)10(17)7-4-12-11(18)13-9(7)16/h4,6,8,15H,2-3,5H2,1H3,(H2,12,13,16,18).
What are the key properties of 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 253.26 g/mol, XLogP of -1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 102785247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).