N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine

C15H20N4O — CID 63760596

IUPACN-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine
SMILESCCOc1ccc(Nc2cc(C)nc(C)n2)cc1CN
InChIInChI=1S/C15H20N4O/c1-4-20-14-6-5-13(8-12(14)9-16)19-15-7-10(2)17-11(3)18-15/h5-8H,4,9,16H2,1-3H3,(H,17,18,19)
InChIKeyJSAUBTORUSUHBW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.69
Rot. Bonds5

About N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine

N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 63760596) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID63760596
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine
SMILESCCOc1ccc(Nc2cc(C)nc(C)n2)cc1CN
InChIInChI=1S/C15H20N4O/c1-4-20-14-6-5-13(8-12(14)9-16)19-15-7-10(2)17-11(3)18-15/h5-8H,4,9,16H2,1-3H3,(H,17,18,19)
InChIKeyJSAUBTORUSUHBW-UHFFFAOYSA-N
XLogP2.69
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one
CID 137008443
N-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine
CID 106550771
N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine
CID 63767610
N-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine
CID 63760594
3-[3-(aminomethyl)-4-ethoxyanilino]-1-methylpyrazin-2-one
CID 63759633
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
N-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 133288903
N-[3-(aminomethyl)-4-ethoxyphenyl]imidazo[1,2-a]pyridin-5-amine
CID 102627162
N-[3-(aminomethyl)-4-ethoxyphenyl]-6-methylpyridine-2-carboxamide
CID 63755297
N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine
CID 104779539
N-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65278006
N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine
CID 103584223

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine (CID 63760596) is N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine is CCOc1ccc(Nc2cc(C)nc(C)n2)cc1CN.
What is the InChIKey of N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is JSAUBTORUSUHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-20-14-6-5-13(8-12(14)9-16)19-15-7-10(2)17-11(3)18-15/h5-8H,4,9,16H2,1-3H3,(H,17,18,19).
What are the key properties of N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine?
N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 272.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63760596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).