N-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide

C12H16ClN3O2 — CID 114052575

IUPACN-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2nccc(Cl)n2)C1
InChIInChI=1S/C12H16ClN3O2/c1-2-18-9-5-8(6-9)7-11(17)16-12-14-4-3-10(13)15-12/h3-4,8-9H,2,5-7H2,1H3,(H,14,15,16,17)
InChIKeyWYHLFIPNKMHJQH-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.27
Rot. Bonds5

About N-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide

N-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 114052575) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide
PubChem CID114052575
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2nccc(Cl)n2)C1
InChIInChI=1S/C12H16ClN3O2/c1-2-18-9-5-8(6-9)7-11(17)16-12-14-4-3-10(13)15-12/h3-4,8-9H,2,5-7H2,1H3,(H,14,15,16,17)
InChIKeyWYHLFIPNKMHJQH-UHFFFAOYSA-N
XLogP2.27
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloropyrazin-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 107595662
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid
CID 103161966
N-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103279698
2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide
CID 126795442
2-[5-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338759
2-(3-ethoxycyclobutyl)-N-(4-sulfamoylphenyl)acetamide
CID 103164408
N-(3-amino-4-ethylphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161581
N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166704
5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
CID 103161729
2-(3-ethoxycyclobutyl)-N-(2-iodophenyl)acetamide
CID 103163808
N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 107697268
N-(4-chloropyrimidin-2-yl)-2-morpholin-3-ylacetamide
CID 114052312

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide (CID 114052575) is N-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)Nc2nccc(Cl)n2)C1.
What is the InChIKey of N-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is WYHLFIPNKMHJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-2-18-9-5-8(6-9)7-11(17)16-12-14-4-3-10(13)15-12/h3-4,8-9H,2,5-7H2,1H3,(H,14,15,16,17).
What are the key properties of N-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide?
N-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 269.73 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 114052575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).