5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine

C13H15N3O — CID 82288448

IUPAC5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine
SMILESCCc1cc(-c2cncnc2N)ccc1OC
InChIInChI=1S/C13H15N3O/c1-3-9-6-10(4-5-12(9)17-2)11-7-15-8-16-13(11)14/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyFHBQZEYCNKIPHI-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.30
Rot. Bonds3

About 5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine

5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine (PubChem CID 82288448) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine
PubChem CID82288448
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine
SMILESCCc1cc(-c2cncnc2N)ccc1OC
InChIInChI=1S/C13H15N3O/c1-3-9-6-10(4-5-12(9)17-2)11-7-15-8-16-13(11)14/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyFHBQZEYCNKIPHI-UHFFFAOYSA-N
XLogP2.30
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethylphenyl)pyrimidin-4-amine
CID 82282209
5-(3-ethyl-4-methoxyphenyl)-1,3-oxazol-2-amine
CID 82285421
[5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82289626
5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine
CID 175815577
5-(2,3-dimethoxyphenyl)pyrimidin-4-amine
CID 174611926
4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82082412
[5-(3-ethyl-4-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878283
2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline
CID 81289951
4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 105371106
5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide
CID 167980928
2-ethyl-5-pyrimidin-5-ylaniline
CID 165490184
5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82295690

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine (CID 82288448) is 5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine is CCc1cc(-c2cncnc2N)ccc1OC.
What is the InChIKey of 5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is FHBQZEYCNKIPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-9-6-10(4-5-12(9)17-2)11-7-15-8-16-13(11)14/h4-8H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine?
5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 229.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 82288448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).