1-[4-(4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]-2-hydroxyethanone

C18H15F2N3O2 — CID 71022665

IUPAC1-[4-(4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]-2-hydroxyethanone
SMILESCC1=C(C(=O)CO)C(c2ccc(F)cc2)N=C(c2ncccc2F)N1
InChIInChI=1S/C18H15F2N3O2/c1-10-15(14(25)9-24)16(11-4-6-12(19)7-5-11)23-18(22-10)17-13(20)3-2-8-21-17/h2-8,16,24H,9H2,1H3,(H,22,23)
InChIKeyVTSYVMFYMAXRGV-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.29
Rot. Bonds4

About 1-[4-(4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]-2-hydroxyethanone

1-[4-(4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]-2-hydroxyethanone (PubChem CID 71022665) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]-2-hydroxyethanone
PubChem CID71022665
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name1-[4-(4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]-2-hydroxyethanone
SMILESCC1=C(C(=O)CO)C(c2ccc(F)cc2)N=C(c2ncccc2F)N1
InChIInChI=1S/C18H15F2N3O2/c1-10-15(14(25)9-24)16(11-4-6-12(19)7-5-11)23-18(22-10)17-13(20)3-2-8-21-17/h2-8,16,24H,9H2,1H3,(H,22,23)
InChIKeyVTSYVMFYMAXRGV-UHFFFAOYSA-N
XLogP2.29
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]-2-hydroxyethanone (CID 71022665) is 1-[4-(4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]-2-hydroxyethanone is CC1=C(C(=O)CO)C(c2ccc(F)cc2)N=C(c2ncccc2F)N1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]-2-hydroxyethanone?
The InChIKey is VTSYVMFYMAXRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-10-15(14(25)9-24)16(11-4-6-12(19)7-5-11)23-18(22-10)17-13(20)3-2-8-21-17/h2-8,16,24H,9H2,1H3,(H,22,23).
What are the key properties of 1-[4-(4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]-2-hydroxyethanone?
1-[4-(4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]-2-hydroxyethanone has a molecular weight of 343.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]-2-hydroxyethanone is sourced from PubChem (CID 71022665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).