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

C16H16FN3O3 — CID 110332471

IUPAC4-(4-fluoro-3-methylphenyl)-6-(morpholine-4-carbonyl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2cc(C(=O)N3CCOCC3)[nH]c(=O)n2)ccc1F
InChIInChI=1S/C16H16FN3O3/c1-10-8-11(2-3-12(10)17)13-9-14(19-16(22)18-13)15(21)20-4-6-23-7-5-20/h2-3,8-9H,4-7H2,1H3,(H,18,19,22)
InChIKeyQUTMBDZHXRQUHD-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.36
Rot. Bonds2

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

4-(4-fluoro-3-methylphenyl)-6-(morpholine-4-carbonyl)-1H-pyrimidin-2-one (PubChem CID 110332471) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-6-(morpholine-4-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-6-(morpholine-4-carbonyl)-1H-pyrimidin-2-one
PubChem CID110332471
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name4-(4-fluoro-3-methylphenyl)-6-(morpholine-4-carbonyl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2cc(C(=O)N3CCOCC3)[nH]c(=O)n2)ccc1F
InChIInChI=1S/C16H16FN3O3/c1-10-8-11(2-3-12(10)17)13-9-14(19-16(22)18-13)15(21)20-4-6-23-7-5-20/h2-3,8-9H,4-7H2,1H3,(H,18,19,22)
InChIKeyQUTMBDZHXRQUHD-UHFFFAOYSA-N
XLogP1.36
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-6-(morpholine-4-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-6-(morpholine-4-carbonyl)-1H-pyrimidin-2-one (CID 110332471) is 4-(4-fluoro-3-methylphenyl)-6-(morpholine-4-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-6-(morpholine-4-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-6-(morpholine-4-carbonyl)-1H-pyrimidin-2-one is Cc1cc(-c2cc(C(=O)N3CCOCC3)[nH]c(=O)n2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-6-(morpholine-4-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is QUTMBDZHXRQUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-10-8-11(2-3-12(10)17)13-9-14(19-16(22)18-13)15(21)20-4-6-23-7-5-20/h2-3,8-9H,4-7H2,1H3,(H,18,19,22).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-6-(morpholine-4-carbonyl)-1H-pyrimidin-2-one?
4-(4-fluoro-3-methylphenyl)-6-(morpholine-4-carbonyl)-1H-pyrimidin-2-one has a molecular weight of 317.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-6-(morpholine-4-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 110332471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).