2-amino-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one

C10H8F2N4O — CID 135465852

IUPAC2-amino-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one
SMILESNc1nc(Nc2ccc(F)c(F)c2)cc(=O)[nH]1
InChIInChI=1S/C10H8F2N4O/c11-6-2-1-5(3-7(6)12)14-8-4-9(17)16-10(13)15-8/h1-4H,(H4,13,14,15,16,17)
InChIKeyKUTSIRBIGZNIFG-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.37
Rot. Bonds2

About 2-amino-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one

2-amino-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one (PubChem CID 135465852) has the molecular formula C10H8F2N4O and a molecular weight of 238.20 g/mol. Its IUPAC name is 2-amino-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one
PubChem CID135465852
Molecular FormulaC10H8F2N4O
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name2-amino-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one
SMILESNc1nc(Nc2ccc(F)c(F)c2)cc(=O)[nH]1
InChIInChI=1S/C10H8F2N4O/c11-6-2-1-5(3-7(6)12)14-8-4-9(17)16-10(13)15-8/h1-4H,(H4,13,14,15,16,17)
InChIKeyKUTSIRBIGZNIFG-UHFFFAOYSA-N
XLogP1.37
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one
CID 135449094
2-amino-4-[2-(4-methylphenyl)hydrazinyl]-1H-pyrimidin-6-one
CID 135512459
N-(3,4-difluorophenyl)-6-hydrazinyl-4-nitropyridin-2-amine
CID 114071519
4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80762879
N-(3,4-difluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine
CID 139976897
2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid
CID 43343649
6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 69028705
4-N-(3-fluoro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112726031
N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80927394
4-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80842205
2-tert-butyl-4-N-(3,4-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80956391
2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile
CID 83072936

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one (CID 135465852) is 2-amino-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one is Nc1nc(Nc2ccc(F)c(F)c2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one?
The InChIKey is KUTSIRBIGZNIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O/c11-6-2-1-5(3-7(6)12)14-8-4-9(17)16-10(13)15-8/h1-4H,(H4,13,14,15,16,17).
What are the key properties of 2-amino-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one?
2-amino-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one has a molecular weight of 238.20 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135465852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).