(2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide

C11H17N3O2 — CID 164641250

IUPAC(2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide
SMILESCCc1ncc(NC(=O)[C@@H](C)COC)cn1
InChIInChI=1S/C11H17N3O2/c1-4-10-12-5-9(6-13-10)14-11(15)8(2)7-16-3/h5-6,8H,4,7H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyIPJKNMNMCLJYAU-QMMMGPOBSA-N
MW223.28 g/mol
LogP1.26
Rot. Bonds5

About (2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide

(2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide (PubChem CID 164641250) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide
PubChem CID164641250
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide
SMILESCCc1ncc(NC(=O)[C@@H](C)COC)cn1
InChIInChI=1S/C11H17N3O2/c1-4-10-12-5-9(6-13-10)14-11(15)8(2)7-16-3/h5-6,8H,4,7H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyIPJKNMNMCLJYAU-QMMMGPOBSA-N
XLogP1.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(2-ethylpyrimidin-5-yl)carbamate
CID 126992347
3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride
CID 120873359
3-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 62668693
(2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide
CID 164638276
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-methylbutanamide
CID 51331716
(2S)-N-[4-(cyclopentylsulfamoyl)phenyl]-3-methoxy-2-methylpropanamide
CID 124843343
3-(ethylamino)-2-methyl-N-(2-phenylpyrimidin-5-yl)propanamide
CID 62851834
4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122087422
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
(2R)-N-(3-chloro-2-methyl-4-pyridinyl)-3-methoxy-2-methylpropanamide
CID 97350108
methyl 5-(2,4-dimethylpentanoylamino)pyridine-2-carboxylate
CID 170275874
2-chloro-4-[(3-methoxy-2-methylpropanoyl)amino]benzoic acid
CID 119178957

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide?
The IUPAC name of (2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide (CID 164641250) is (2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide.
What is the SMILES notation for (2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide?
The canonical SMILES for (2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide is CCc1ncc(NC(=O)[C@@H](C)COC)cn1.
What is the InChIKey of (2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide?
The InChIKey is IPJKNMNMCLJYAU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-10-12-5-9(6-13-10)14-11(15)8(2)7-16-3/h5-6,8H,4,7H2,1-3H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide?
(2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide has a molecular weight of 223.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide is sourced from PubChem (CID 164641250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).