5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one

C15H23N3O3 — CID 136968769

IUPAC5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CCC(=O)N2CCC(C(C)O)C2)c(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-9-13(15(21)17-11(3)16-9)4-5-14(20)18-7-6-12(8-18)10(2)19/h10,12,19H,4-8H2,1-3H3,(H,16,17,21)
InChIKeyKNGCVXSEQSWPBR-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.55
Rot. Bonds4

About 5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 136968769) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID136968769
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CCC(=O)N2CCC(C(C)O)C2)c(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-9-13(15(21)17-11(3)16-9)4-5-14(20)18-7-6-12(8-18)10(2)19/h10,12,19H,4-8H2,1-3H3,(H,16,17,21)
InChIKeyKNGCVXSEQSWPBR-UHFFFAOYSA-N
XLogP0.55
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 136968769) is 5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(CCC(=O)N2CCC(C(C)O)C2)c(=O)[nH]1.
What is the InChIKey of 5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is KNGCVXSEQSWPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9-13(15(21)17-11(3)16-9)4-5-14(20)18-7-6-12(8-18)10(2)19/h10,12,19H,4-8H2,1-3H3,(H,16,17,21).
What are the key properties of 5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 293.37 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136968769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).