5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine

C13H16N4O — CID 115534586

IUPAC5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine
SMILESCCOc1ccccc1-c1ncc(CN)c(N)n1
InChIInChI=1S/C13H16N4O/c1-2-18-11-6-4-3-5-10(11)13-16-8-9(7-14)12(15)17-13/h3-6,8H,2,7,14H2,1H3,(H2,15,16,17)
InChIKeyFDEZXCCXRKUVQX-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.58
Rot. Bonds4

About 5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine

5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine (PubChem CID 115534586) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine
PubChem CID115534586
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine
SMILESCCOc1ccccc1-c1ncc(CN)c(N)n1
InChIInChI=1S/C13H16N4O/c1-2-18-11-6-4-3-5-10(11)13-16-8-9(7-14)12(15)17-13/h3-6,8H,2,7,14H2,1H3,(H2,15,16,17)
InChIKeyFDEZXCCXRKUVQX-UHFFFAOYSA-N
XLogP1.58
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethoxyphenyl)-1,3,5-triazin-2-amine
CID 115534558
2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351905
5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10562267
[2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine
CID 62800398
2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid
CID 115534194
5-(aminomethyl)-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 114016280
4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 78909366
3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 115534345
[5-ethoxy-2-(2-fluorophenyl)-4-pyridinyl]methanamine
CID 132588900
N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 115534303
2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169072
3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole
CID 61277730

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine (CID 115534586) is 5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine is CCOc1ccccc1-c1ncc(CN)c(N)n1.
What is the InChIKey of 5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine?
The InChIKey is FDEZXCCXRKUVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-18-11-6-4-3-5-10(11)13-16-8-9(7-14)12(15)17-13/h3-6,8H,2,7,14H2,1H3,(H2,15,16,17).
What are the key properties of 5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine?
5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 115534586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).