6-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C12H17N3O4 — CID 62467546

IUPAC6-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC1CCCO
InChIInChI=1S/C12H17N3O4/c16-6-2-4-8-3-1-5-15(8)11(18)9-7-10(17)14-12(19)13-9/h7-8,16H,1-6H2,(H2,13,14,17,19)
InChIKeyXDJXKTYGZCWYCU-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.56
Rot. Bonds4

About 6-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 62467546) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 6-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID62467546
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name6-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC1CCCO
InChIInChI=1S/C12H17N3O4/c16-6-2-4-8-3-1-5-15(8)11(18)9-7-10(17)14-12(19)13-9/h7-8,16H,1-6H2,(H2,13,14,17,19)
InChIKeyXDJXKTYGZCWYCU-UHFFFAOYSA-N
XLogP-0.56
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 62467546) is 6-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC1CCCO.
What is the InChIKey of 6-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XDJXKTYGZCWYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-6-2-4-8-3-1-5-15(8)11(18)9-7-10(17)14-12(19)13-9/h7-8,16H,1-6H2,(H2,13,14,17,19).
What are the key properties of 6-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 267.28 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 62467546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).