N-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine

C17H22FN3 — CID 63485270

IUPACN-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(F)c(C)c2)nc(C)c1C(C)C
InChIInChI=1S/C17H22FN3/c1-6-19-17-15(10(2)3)12(5)20-16(21-17)13-7-8-14(18)11(4)9-13/h7-10H,6H2,1-5H3,(H,19,20,21)
InChIKeyPYJRWERXIKBQON-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.45
Rot. Bonds4

About N-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine

N-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 63485270) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID63485270
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(F)c(C)c2)nc(C)c1C(C)C
InChIInChI=1S/C17H22FN3/c1-6-19-17-15(10(2)3)12(5)20-16(21-17)13-7-8-14(18)11(4)9-13/h7-10H,6H2,1-5H3,(H,19,20,21)
InChIKeyPYJRWERXIKBQON-UHFFFAOYSA-N
XLogP4.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 62913834
N-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 81272931
N-ethyl-2-(4-fluoro-3-methylphenyl)quinazolin-4-amine
CID 63500841
2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 63480343
2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 107281416
N-ethyl-2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 62745460
[2-(4-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 62916072
N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62594653
[6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine
CID 62915530
2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62745958
N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine
CID 62192315
2-(3-chloro-4-fluorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63485428

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine (CID 63485270) is N-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine is CCNc1nc(-c2ccc(F)c(C)c2)nc(C)c1C(C)C.
What is the InChIKey of N-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is PYJRWERXIKBQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-6-19-17-15(10(2)3)12(5)20-16(21-17)13-7-8-14(18)11(4)9-13/h7-10H,6H2,1-5H3,(H,19,20,21).
What are the key properties of N-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
N-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 287.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63485270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).