4-(4-fluoro-3-methylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one

C16H16FN3O2 — CID 110332466

IUPAC4-(4-fluoro-3-methylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2cc(C(=O)N3CCCC3)[nH]c(=O)n2)ccc1F
InChIInChI=1S/C16H16FN3O2/c1-10-8-11(4-5-12(10)17)13-9-14(19-16(22)18-13)15(21)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19,22)
InChIKeyGIVMVWDANVPABB-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.12
Rot. Bonds2

About 4-(4-fluoro-3-methylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one

4-(4-fluoro-3-methylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one (PubChem CID 110332466) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one
PubChem CID110332466
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name4-(4-fluoro-3-methylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2cc(C(=O)N3CCCC3)[nH]c(=O)n2)ccc1F
InChIInChI=1S/C16H16FN3O2/c1-10-8-11(4-5-12(10)17)13-9-14(19-16(22)18-13)15(21)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19,22)
InChIKeyGIVMVWDANVPABB-UHFFFAOYSA-N
XLogP2.12
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one (CID 110332466) is 4-(4-fluoro-3-methylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one is Cc1cc(-c2cc(C(=O)N3CCCC3)[nH]c(=O)n2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is GIVMVWDANVPABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-10-8-11(4-5-12(10)17)13-9-14(19-16(22)18-13)15(21)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19,22).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one?
4-(4-fluoro-3-methylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one has a molecular weight of 301.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 110332466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).