6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine

C13H13ClFN3O — CID 80936780

IUPAC6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(Nc2ccc(OC)c(F)c2)n1
InChIInChI=1S/C13H13ClFN3O/c1-3-12-17-11(14)7-13(18-12)16-8-4-5-10(19-2)9(15)6-8/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyLUTMLQOLEHGYPO-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.58
Rot. Bonds4

About 6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine

6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine (PubChem CID 80936780) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
PubChem CID80936780
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(Nc2ccc(OC)c(F)c2)n1
InChIInChI=1S/C13H13ClFN3O/c1-3-12-17-11(14)7-13(18-12)16-8-4-5-10(19-2)9(15)6-8/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyLUTMLQOLEHGYPO-UHFFFAOYSA-N
XLogP3.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 80943528
6-chloro-2-ethyl-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 80936099
6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine
CID 80944911
6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114840486
6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine
CID 80944024
4-N-(3-fluoro-4-methoxyphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80771186
2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine
CID 80935459
3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
CID 43381012
6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 62480912
N-(3-fluoro-4-methoxyphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80894943
N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine
CID 80936805
6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine
CID 80936731

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine (CID 80936780) is 6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine is CCc1nc(Cl)cc(Nc2ccc(OC)c(F)c2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is LUTMLQOLEHGYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-3-12-17-11(14)7-13(18-12)16-8-4-5-10(19-2)9(15)6-8/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine?
6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 281.72 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80936780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).