(3-bromo-4-fluorophenyl)-(1,2,5,6-tetrahydropyrimidin-2-yl)methanone

C11H10BrFN2O — CID 57423984

IUPAC(3-bromo-4-fluorophenyl)-(1,2,5,6-tetrahydropyrimidin-2-yl)methanone
SMILESO=C(c1ccc(F)c(Br)c1)C1N=CCCN1
InChIInChI=1S/C11H10BrFN2O/c12-8-6-7(2-3-9(8)13)10(16)11-14-4-1-5-15-11/h2-4,6,11,15H,1,5H2
InChIKeyHPFDCLBAGXKWBS-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.16
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(1,2,5,6-tetrahydropyrimidin-2-yl)methanone

(3-bromo-4-fluorophenyl)-(1,2,5,6-tetrahydropyrimidin-2-yl)methanone (PubChem CID 57423984) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(1,2,5,6-tetrahydropyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(1,2,5,6-tetrahydropyrimidin-2-yl)methanone
PubChem CID57423984
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name(3-bromo-4-fluorophenyl)-(1,2,5,6-tetrahydropyrimidin-2-yl)methanone
SMILESO=C(c1ccc(F)c(Br)c1)C1N=CCCN1
InChIInChI=1S/C11H10BrFN2O/c12-8-6-7(2-3-9(8)13)10(16)11-14-4-1-5-15-11/h2-4,6,11,15H,1,5H2
InChIKeyHPFDCLBAGXKWBS-UHFFFAOYSA-N
XLogP2.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(1,2,5,6-tetrahydropyrimidin-2-yl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(1,2,5,6-tetrahydropyrimidin-2-yl)methanone (CID 57423984) is (3-bromo-4-fluorophenyl)-(1,2,5,6-tetrahydropyrimidin-2-yl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(1,2,5,6-tetrahydropyrimidin-2-yl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(1,2,5,6-tetrahydropyrimidin-2-yl)methanone is O=C(c1ccc(F)c(Br)c1)C1N=CCCN1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(1,2,5,6-tetrahydropyrimidin-2-yl)methanone?
The InChIKey is HPFDCLBAGXKWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c12-8-6-7(2-3-9(8)13)10(16)11-14-4-1-5-15-11/h2-4,6,11,15H,1,5H2.
What are the key properties of (3-bromo-4-fluorophenyl)-(1,2,5,6-tetrahydropyrimidin-2-yl)methanone?
(3-bromo-4-fluorophenyl)-(1,2,5,6-tetrahydropyrimidin-2-yl)methanone has a molecular weight of 285.12 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(1,2,5,6-tetrahydropyrimidin-2-yl)methanone is sourced from PubChem (CID 57423984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).