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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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).