N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine

C16H20FN3O — CID 82793042

IUPACN-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1-c1cccc(OC)c1F
InChIInChI=1S/C16H20FN3O/c1-4-7-12-15(19-10-20-16(12)18-5-2)11-8-6-9-13(21-3)14(11)17/h6,8-10H,4-5,7H2,1-3H3,(H,18,19,20)
InChIKeyKKPHUPXEXVXVEA-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.68
Rot. Bonds6

About N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine

N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine (PubChem CID 82793042) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine
PubChem CID82793042
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1-c1cccc(OC)c1F
InChIInChI=1S/C16H20FN3O/c1-4-7-12-15(19-10-20-16(12)18-5-2)11-8-6-9-13(21-3)14(11)17/h6,8-10H,4-5,7H2,1-3H3,(H,18,19,20)
InChIKeyKKPHUPXEXVXVEA-UHFFFAOYSA-N
XLogP3.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine
CID 106646745
6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine
CID 106646886
N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 82812222
6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768641
N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine
CID 112754900
3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine
CID 82810797
6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine
CID 115504003
N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 82812218
N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 115503017
6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine
CID 105396085
6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80866931
4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine
CID 82810915

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine (CID 82793042) is N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine is CCCc1c(NCC)ncnc1-c1cccc(OC)c1F.
What is the InChIKey of N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine?
The InChIKey is KKPHUPXEXVXVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-4-7-12-15(19-10-20-16(12)18-5-2)11-8-6-9-13(21-3)14(11)17/h6,8-10H,4-5,7H2,1-3H3,(H,18,19,20).
What are the key properties of N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine?
N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine has a molecular weight of 289.35 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 82793042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).