2-(3-chloro-4-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one

C10H7ClFN3O2 — CID 139976467

IUPAC2-(3-chloro-4-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(Nc2ccc(F)c(Cl)c2)[nH]1
InChIInChI=1S/C10H7ClFN3O2/c11-6-3-5(1-2-7(6)12)13-10-14-8(16)4-9(17)15-10/h1-4H,(H3,13,14,15,16,17)
InChIKeyFQXATRXQZBNFSN-UHFFFAOYSA-N
MW255.64 g/mol
LogP2.01
Rot. Bonds2

About 2-(3-chloro-4-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one

2-(3-chloro-4-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 139976467) has the molecular formula C10H7ClFN3O2 and a molecular weight of 255.64 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID139976467
Molecular FormulaC10H7ClFN3O2
Molecular Weight255.64 g/mol
Exact Mass255.02
IUPAC Name2-(3-chloro-4-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(Nc2ccc(F)c(Cl)c2)[nH]1
InChIInChI=1S/C10H7ClFN3O2/c11-6-3-5(1-2-7(6)12)13-10-14-8(16)4-9(17)15-10/h1-4H,(H3,13,14,15,16,17)
InChIKeyFQXATRXQZBNFSN-UHFFFAOYSA-N
XLogP2.01
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.64
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 139976142
4-[(4-hydroxy-6-oxo-(4,5,6-13C3)1H-pyrimidin-2-yl)amino]benzonitrile
CID 71316163
4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzamide
CID 158659677
4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one
CID 139976239
3-(3-chloro-4-fluoroanilino)-6-phenyl-4H-1,2,4-triazin-5-one
CID 135713736
4-hydroxy-2-[3-(1,1,2,2-tetrafluoroethoxy)anilino]-1H-pyrimidin-6-one
CID 139976279
2-(4-fluoro-3-methylanilino)-4-(4-methylphenyl)-1H-pyrimidin-6-one
CID 136741276
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine
CID 24970680
7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 43306199
2-(4-fluoroanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136740970
2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 63613424

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one (CID 139976467) is 2-(3-chloro-4-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(Nc2ccc(F)c(Cl)c2)[nH]1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is FQXATRXQZBNFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O2/c11-6-3-5(1-2-7(6)12)13-10-14-8(16)4-9(17)15-10/h1-4H,(H3,13,14,15,16,17).
What are the key properties of 2-(3-chloro-4-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one?
2-(3-chloro-4-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 255.64 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 139976467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).