4-[(2,5-difluorophenyl)methylamino]-1H-pyrimidin-6-one

C11H9F2N3O — CID 136975723

IUPAC4-[(2,5-difluorophenyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCc2cc(F)ccc2F)nc[nH]1
InChIInChI=1S/C11H9F2N3O/c12-8-1-2-9(13)7(3-8)5-14-10-4-11(17)16-6-15-10/h1-4,6H,5H2,(H2,14,15,16,17)
InChIKeyXHWZTNXADVCMMF-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.66
Rot. Bonds3

About 4-[(2,5-difluorophenyl)methylamino]-1H-pyrimidin-6-one

4-[(2,5-difluorophenyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136975723) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136975723
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name4-[(2,5-difluorophenyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCc2cc(F)ccc2F)nc[nH]1
InChIInChI=1S/C11H9F2N3O/c12-8-1-2-9(13)7(3-8)5-14-10-4-11(17)16-6-15-10/h1-4,6H,5H2,(H2,14,15,16,17)
InChIKeyXHWZTNXADVCMMF-UHFFFAOYSA-N
XLogP1.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine
CID 55235504
N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83267602
4-(1,3-benzodioxol-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136974593
4-[(2,5-difluorophenyl)methylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143589
4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136782374
N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine
CID 112675874
4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136976380
4-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1H-pyrimidin-6-one
CID 136743847
N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705653
5-bromo-4-[(5-bromo-2-fluorophenyl)methylamino]-1H-pyrimidin-6-one
CID 136974694
4-[(2-bromo-5-fluorophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974427
4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one
CID 136817750

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorophenyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,5-difluorophenyl)methylamino]-1H-pyrimidin-6-one (CID 136975723) is 4-[(2,5-difluorophenyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,5-difluorophenyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,5-difluorophenyl)methylamino]-1H-pyrimidin-6-one is O=c1cc(NCc2cc(F)ccc2F)nc[nH]1.
What is the InChIKey of 4-[(2,5-difluorophenyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is XHWZTNXADVCMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c12-8-1-2-9(13)7(3-8)5-14-10-4-11(17)16-6-15-10/h1-4,6H,5H2,(H2,14,15,16,17).
What are the key properties of 4-[(2,5-difluorophenyl)methylamino]-1H-pyrimidin-6-one?
4-[(2,5-difluorophenyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 237.21 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).