6-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C12H17N3O4 — CID 102785227

IUPAC6-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCC1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)C1CO
InChIInChI=1S/C12H17N3O4/c1-7-2-3-15(9(7)6-16)11(18)5-8-4-10(17)14-12(19)13-8/h4,7,9,16H,2-3,5-6H2,1H3,(H2,13,14,17,19)
InChIKeyQZXVLWWLFBDSME-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.16
Rot. Bonds3

About 6-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

6-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 102785227) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 6-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID102785227
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name6-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCC1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)C1CO
InChIInChI=1S/C12H17N3O4/c1-7-2-3-15(9(7)6-16)11(18)5-8-4-10(17)14-12(19)13-8/h4,7,9,16H,2-3,5-6H2,1H3,(H2,13,14,17,19)
InChIKeyQZXVLWWLFBDSME-UHFFFAOYSA-N
XLogP-1.16
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 102784992
2-(2,6-difluorophenyl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102738066
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide
CID 2150009
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 102738499
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 102738389
methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylate
CID 115535737
5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 102785247
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 102738084
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid
CID 43355935
2-(azetidin-3-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102780602
6-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]hexan-1-one
CID 102780522
6-[2-(4-bromo-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 167759114

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 102785227) is 6-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is CC1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)C1CO.
What is the InChIKey of 6-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is QZXVLWWLFBDSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7-2-3-15(9(7)6-16)11(18)5-8-4-10(17)14-12(19)13-8/h4,7,9,16H,2-3,5-6H2,1H3,(H2,13,14,17,19).
What are the key properties of 6-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
6-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 267.28 g/mol, XLogP of -1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 102785227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).