5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine

C15H18FN3O — CID 59643126

IUPAC5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine
SMILESCCc1cnc(NCCc2ccc(OC)c(F)c2)nc1
InChIInChI=1S/C15H18FN3O/c1-3-11-9-18-15(19-10-11)17-7-6-12-4-5-14(20-2)13(16)8-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,17,18,19)
InChIKeyHZYSQHILVQNRQO-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.84
Rot. Bonds6

About 5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine

5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine (PubChem CID 59643126) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine
PubChem CID59643126
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine
SMILESCCc1cnc(NCCc2ccc(OC)c(F)c2)nc1
InChIInChI=1S/C15H18FN3O/c1-3-11-9-18-15(19-10-11)17-7-6-12-4-5-14(20-2)13(16)8-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,17,18,19)
InChIKeyHZYSQHILVQNRQO-UHFFFAOYSA-N
XLogP2.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyrimidin-2-amine
CID 59643398
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine
CID 59643362
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-2-amine
CID 63874532
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol
CID 94681852
N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 116977086
3-[2-(3-fluoro-4-methoxyphenyl)ethylamino]propane-1-thiol
CID 115225090
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970919
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109261372
N-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine
CID 114600378
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252560

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine (CID 59643126) is 5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine is CCc1cnc(NCCc2ccc(OC)c(F)c2)nc1.
What is the InChIKey of 5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine?
The InChIKey is HZYSQHILVQNRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-3-11-9-18-15(19-10-11)17-7-6-12-4-5-14(20-2)13(16)8-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,17,18,19).
What are the key properties of 5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine?
5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine has a molecular weight of 275.33 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 59643126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).