4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine

C11H9ClFN3O — CID 114052976

IUPAC4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine
SMILESCOc1cc(-c2ccc(F)c(Cl)c2)nc(N)n1
InChIInChI=1S/C11H9ClFN3O/c1-17-10-5-9(15-11(14)16-10)6-2-3-8(13)7(12)4-6/h2-5H,1H3,(H2,14,15,16)
InChIKeyBSXXQGMZDYWNDK-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.53
Rot. Bonds2

About 4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine

4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine (PubChem CID 114052976) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine
PubChem CID114052976
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine
SMILESCOc1cc(-c2ccc(F)c(Cl)c2)nc(N)n1
InChIInChI=1S/C11H9ClFN3O/c1-17-10-5-9(15-11(14)16-10)6-2-3-8(13)7(12)4-6/h2-5H,1H3,(H2,14,15,16)
InChIKeyBSXXQGMZDYWNDK-UHFFFAOYSA-N
XLogP2.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dichlorophenyl)-6-methoxypyrimidin-2-amine
CID 39826310
4-methoxy-6-phenylpyrimidin-2-amine
CID 676910
4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75359612
4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine
CID 39819500
2-(3-chloro-4-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 82879286
4-fluoro-6-methoxypyrimidin-2-amine
CID 759140
2-(3-chlorophenyl)-6-methoxypyridin-4-amine
CID 105495492
4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
CID 24743459
4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136769988
4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83083653
sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride
CID 175737665
4-(3-chloro-4-methoxyphenyl)-6-pyridin-3-ylpyrimidin-2-amine
CID 58626083

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine (CID 114052976) is 4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine is COc1cc(-c2ccc(F)c(Cl)c2)nc(N)n1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine?
The InChIKey is BSXXQGMZDYWNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-17-10-5-9(15-11(14)16-10)6-2-3-8(13)7(12)4-6/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine?
4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine has a molecular weight of 253.66 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 114052976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).