N-[5-(6-aminopyrimidin-4-yl)-2-ethoxyphenyl]acetamide

C14H16N4O2 — CID 96668388

IUPACN-[5-(6-aminopyrimidin-4-yl)-2-ethoxyphenyl]acetamide
SMILESCCOc1ccc(-c2cc(N)ncn2)cc1NC(C)=O
InChIInChI=1S/C14H16N4O2/c1-3-20-13-5-4-10(6-12(13)18-9(2)19)11-7-14(15)17-8-16-11/h4-8H,3H2,1-2H3,(H,18,19)(H2,15,16,17)
InChIKeyBMDZHHNQJZACGG-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.08
Rot. Bonds4

About N-[5-(6-aminopyrimidin-4-yl)-2-ethoxyphenyl]acetamide

N-[5-(6-aminopyrimidin-4-yl)-2-ethoxyphenyl]acetamide (PubChem CID 96668388) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[5-(6-aminopyrimidin-4-yl)-2-ethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(6-aminopyrimidin-4-yl)-2-ethoxyphenyl]acetamide
PubChem CID96668388
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[5-(6-aminopyrimidin-4-yl)-2-ethoxyphenyl]acetamide
SMILESCCOc1ccc(-c2cc(N)ncn2)cc1NC(C)=O
InChIInChI=1S/C14H16N4O2/c1-3-20-13-5-4-10(6-12(13)18-9(2)19)11-7-14(15)17-8-16-11/h4-8H,3H2,1-2H3,(H,18,19)(H2,15,16,17)
InChIKeyBMDZHHNQJZACGG-UHFFFAOYSA-N
XLogP2.08
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide
CID 82484529
N-[5-[5-(aminomethyl)-1H-pyrazol-3-yl]-2-ethoxyphenyl]acetamide
CID 96669522
3-acetamido-4-ethoxybenzenesulfonic acid
CID 82483875
N-[2-ethoxy-5-(hydroxymethyl)phenyl]acetamide
CID 82470650
2-(3-acetamido-4-ethoxyphenyl)acetamide
CID 96674142
N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide
CID 96673990
6-(3-chloro-4-ethoxyphenyl)pyrimidine-4-carboxylic acid
CID 95482943
N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
N-[5-(3-amino-1,2,4-triazin-5-yl)-2-methoxyphenyl]acetamide
CID 82483873
ethyl 4-(6-chloropyrimidin-4-yl)-2-ethoxybenzoate
CID 135333692
N-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
CID 112514063
N-[2-ethoxy-5-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 7368615

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-aminopyrimidin-4-yl)-2-ethoxyphenyl]acetamide?
The IUPAC name of N-[5-(6-aminopyrimidin-4-yl)-2-ethoxyphenyl]acetamide (CID 96668388) is N-[5-(6-aminopyrimidin-4-yl)-2-ethoxyphenyl]acetamide.
What is the SMILES notation for N-[5-(6-aminopyrimidin-4-yl)-2-ethoxyphenyl]acetamide?
The canonical SMILES for N-[5-(6-aminopyrimidin-4-yl)-2-ethoxyphenyl]acetamide is CCOc1ccc(-c2cc(N)ncn2)cc1NC(C)=O.
What is the InChIKey of N-[5-(6-aminopyrimidin-4-yl)-2-ethoxyphenyl]acetamide?
The InChIKey is BMDZHHNQJZACGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-20-13-5-4-10(6-12(13)18-9(2)19)11-7-14(15)17-8-16-11/h4-8H,3H2,1-2H3,(H,18,19)(H2,15,16,17).
What are the key properties of N-[5-(6-aminopyrimidin-4-yl)-2-ethoxyphenyl]acetamide?
N-[5-(6-aminopyrimidin-4-yl)-2-ethoxyphenyl]acetamide has a molecular weight of 272.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-aminopyrimidin-4-yl)-2-ethoxyphenyl]acetamide is sourced from PubChem (CID 96668388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).