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

C10H8ClFN4O — CID 135480756

IUPAC2-amino-4-(4-chloro-3-fluoroanilino)-1H-pyrimidin-6-one
SMILESNc1nc(Nc2ccc(Cl)c(F)c2)cc(=O)[nH]1
InChIInChI=1S/C10H8ClFN4O/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)
InChIKeyRUZROVWTICHGHV-UHFFFAOYSA-N
MW254.65 g/mol
LogP1.89
Rot. Bonds2

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

2-amino-4-(4-chloro-3-fluoroanilino)-1H-pyrimidin-6-one (PubChem CID 135480756) has the molecular formula C10H8ClFN4O and a molecular weight of 254.65 g/mol. Its IUPAC name is 2-amino-4-(4-chloro-3-fluoroanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(4-chloro-3-fluoroanilino)-1H-pyrimidin-6-one
PubChem CID135480756
Molecular FormulaC10H8ClFN4O
Molecular Weight254.65 g/mol
Exact Mass254.04
IUPAC Name2-amino-4-(4-chloro-3-fluoroanilino)-1H-pyrimidin-6-one
SMILESNc1nc(Nc2ccc(Cl)c(F)c2)cc(=O)[nH]1
InChIInChI=1S/C10H8ClFN4O/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)
InChIKeyRUZROVWTICHGHV-UHFFFAOYSA-N
XLogP1.89
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Guanidine, 1-(p-chlorophenyl)-3-(4-hydroxy-6-methyl-2-pyrimidinyl)-
CID 135408788
N-(1,6-Dihydro-4-methyl-6-oxo-2-pyrimidinyl)-N'-phenylguanidine
CID 135495567
1-(4-Chlorophenyl)-3-(4-fluorophenyl)urea
CID 294989
6-(4-Chloro-phenylamino)-1H-pyrimidine-2,4-dione
CID 308646
2-amino-6-(3,4-dichloroanilino)-1H-pyrimidin-4-one
CID 135400927
4-(4-Chloroanilino)-6-hydroxy-2-methyl-5-pyrimidinecarbonitrile
CID 135442069
2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one
CID 135449094
2-[(4-chlorophenyl)amino]-6-propylpyrimidin-4(3H)-one
CID 135472778
(4-Amino-1,3,5-triazaspiro[5.5]undeca-2,4-dien-2-yl)(4-chlorophenyl)amine
CID 4148445
2-(4-chloro-anilino)-6-methyl-3H-pyrimidin-4-one
CID 135488566
2-Amino-4-(4-chloroanilino)-6-oxo-1,6-dihydro-5-pyrimidinylformamide
CID 135496583
Mls000738016
CID 229747

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chloro-3-fluoroanilino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(4-chloro-3-fluoroanilino)-1H-pyrimidin-6-one (CID 135480756) is 2-amino-4-(4-chloro-3-fluoroanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(4-chloro-3-fluoroanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(4-chloro-3-fluoroanilino)-1H-pyrimidin-6-one is Nc1nc(Nc2ccc(Cl)c(F)c2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(4-chloro-3-fluoroanilino)-1H-pyrimidin-6-one?
The InChIKey is RUZROVWTICHGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O/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-(4-chloro-3-fluoroanilino)-1H-pyrimidin-6-one?
2-amino-4-(4-chloro-3-fluoroanilino)-1H-pyrimidin-6-one has a molecular weight of 254.65 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chloro-3-fluoroanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135480756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).