2-cyclopropyl-4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one

C13H16FN3O2 — CID 138004853

IUPAC2-cyclopropyl-4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCC1(F)CCN(C(=O)c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C13H16FN3O2/c1-13(14)4-5-17(7-13)12(19)9-6-10(18)16-11(15-9)8-2-3-8/h6,8H,2-5,7H2,1H3,(H,15,16,18)
InChIKeyBFGCDSPWNIKHKQ-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.22
Rot. Bonds2

About 2-cyclopropyl-4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 138004853) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID138004853
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name2-cyclopropyl-4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCC1(F)CCN(C(=O)c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C13H16FN3O2/c1-13(14)4-5-17(7-13)12(19)9-6-10(18)16-11(15-9)8-2-3-8/h6,8H,2-5,7H2,1H3,(H,15,16,18)
InChIKeyBFGCDSPWNIKHKQ-UHFFFAOYSA-N
XLogP1.22
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one (CID 138004853) is 2-cyclopropyl-4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one is CC1(F)CCN(C(=O)c2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 2-cyclopropyl-4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is BFGCDSPWNIKHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-13(14)4-5-17(7-13)12(19)9-6-10(18)16-11(15-9)8-2-3-8/h6,8H,2-5,7H2,1H3,(H,15,16,18).
What are the key properties of 2-cyclopropyl-4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 265.29 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 138004853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).