3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride

C10H17ClN4O — CID 120873359

IUPAC3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride
SMILESCCc1ncc(NC(=O)CC(C)N)cn1.Cl
InChIInChI=1S/C10H16N4O.ClH/c1-3-9-12-5-8(6-13-9)14-10(15)4-7(2)11;/h5-7H,3-4,11H2,1-2H3,(H,14,15);1H
InChIKeyPLDYXHARAJSPAG-UHFFFAOYSA-N
MW244.73 g/mol
LogP1.14
Rot. Bonds4

About 3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride

3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride (PubChem CID 120873359) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride
PubChem CID120873359
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride
SMILESCCc1ncc(NC(=O)CC(C)N)cn1.Cl
InChIInChI=1S/C10H16N4O.ClH/c1-3-9-12-5-8(6-13-9)14-10(15)4-7(2)11;/h5-7H,3-4,11H2,1-2H3,(H,14,15);1H
InChIKeyPLDYXHARAJSPAG-UHFFFAOYSA-N
XLogP1.14
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
methyl N-(2-ethylpyrimidin-5-yl)carbamate
CID 126992347
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847
(2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide
CID 164641250
3-amino-N-(3,5-dimethylphenyl)butanamide
CID 60836814
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
3-amino-N-(3-ethyl-4-methylphenyl)butanamide
CID 120874215
3-amino-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride
CID 119704493
3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride
CID 119871176
4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride
CID 119714141

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride (CID 120873359) is 3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride is CCc1ncc(NC(=O)CC(C)N)cn1.Cl.
What is the InChIKey of 3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride?
The InChIKey is PLDYXHARAJSPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.ClH/c1-3-9-12-5-8(6-13-9)14-10(15)4-7(2)11;/h5-7H,3-4,11H2,1-2H3,(H,14,15);1H.
What are the key properties of 3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride?
3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride has a molecular weight of 244.73 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 120873359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).