4-amino-N-(6-chloropyrimidin-4-yl)-3-ethoxybutanamide

C10H15ClN4O2 — CID 114227604

IUPAC4-amino-N-(6-chloropyrimidin-4-yl)-3-ethoxybutanamide
SMILESCCOC(CN)CC(=O)Nc1cc(Cl)ncn1
InChIInChI=1S/C10H15ClN4O2/c1-2-17-7(5-12)3-10(16)15-9-4-8(11)13-6-14-9/h4,6-7H,2-3,5,12H2,1H3,(H,13,14,15,16)
InChIKeyCCMLOLBNJGWKRW-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.82
Rot. Bonds6

About 4-amino-N-(6-chloropyrimidin-4-yl)-3-ethoxybutanamide

4-amino-N-(6-chloropyrimidin-4-yl)-3-ethoxybutanamide (PubChem CID 114227604) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 4-amino-N-(6-chloropyrimidin-4-yl)-3-ethoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(6-chloropyrimidin-4-yl)-3-ethoxybutanamide
PubChem CID114227604
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name4-amino-N-(6-chloropyrimidin-4-yl)-3-ethoxybutanamide
SMILESCCOC(CN)CC(=O)Nc1cc(Cl)ncn1
InChIInChI=1S/C10H15ClN4O2/c1-2-17-7(5-12)3-10(16)15-9-4-8(11)13-6-14-9/h4,6-7H,2-3,5,12H2,1H3,(H,13,14,15,16)
InChIKeyCCMLOLBNJGWKRW-UHFFFAOYSA-N
XLogP0.82
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(6-chloropyridazin-3-yl)-3-ethoxybutanamide
CID 114227565
4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide
CID 114227302
4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide
CID 114227336
4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide
CID 114227566
N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine
CID 160592150
ethyl (2R)-2-[(6-chloropyrimidin-4-yl)amino]hexanoate
CID 58629287
4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide
CID 114227332
4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide
CID 114227576
4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide
CID 114227338
4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide
CID 114227270
4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 103155915
3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid
CID 114227468

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-chloropyrimidin-4-yl)-3-ethoxybutanamide?
The IUPAC name of 4-amino-N-(6-chloropyrimidin-4-yl)-3-ethoxybutanamide (CID 114227604) is 4-amino-N-(6-chloropyrimidin-4-yl)-3-ethoxybutanamide.
What is the SMILES notation for 4-amino-N-(6-chloropyrimidin-4-yl)-3-ethoxybutanamide?
The canonical SMILES for 4-amino-N-(6-chloropyrimidin-4-yl)-3-ethoxybutanamide is CCOC(CN)CC(=O)Nc1cc(Cl)ncn1.
What is the InChIKey of 4-amino-N-(6-chloropyrimidin-4-yl)-3-ethoxybutanamide?
The InChIKey is CCMLOLBNJGWKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-2-17-7(5-12)3-10(16)15-9-4-8(11)13-6-14-9/h4,6-7H,2-3,5,12H2,1H3,(H,13,14,15,16).
What are the key properties of 4-amino-N-(6-chloropyrimidin-4-yl)-3-ethoxybutanamide?
4-amino-N-(6-chloropyrimidin-4-yl)-3-ethoxybutanamide has a molecular weight of 258.71 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-chloropyrimidin-4-yl)-3-ethoxybutanamide is sourced from PubChem (CID 114227604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).