(2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide

C12H19N3O2 — CID 164638276

IUPAC(2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide
SMILESCCc1cc(NC(=O)[C@@H](C)COC)nc(C)n1
InChIInChI=1S/C12H19N3O2/c1-5-10-6-11(14-9(3)13-10)15-12(16)8(2)7-17-4/h6,8H,5,7H2,1-4H3,(H,13,14,15,16)/t8-/m0/s1
InChIKeyDTCRYSBZJACIME-QMMMGPOBSA-N
MW237.30 g/mol
LogP1.57
Rot. Bonds5

About (2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide

(2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide (PubChem CID 164638276) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide
PubChem CID164638276
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide
SMILESCCc1cc(NC(=O)[C@@H](C)COC)nc(C)n1
InChIInChI=1S/C12H19N3O2/c1-5-10-6-11(14-9(3)13-10)15-12(16)8(2)7-17-4/h6,8H,5,7H2,1-4H3,(H,13,14,15,16)/t8-/m0/s1
InChIKeyDTCRYSBZJACIME-QMMMGPOBSA-N
XLogP1.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078586
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine
CID 106181686
(2S,3S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methylpentanoic acid
CID 122050450
(2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide
CID 164641250
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide
CID 71908396
(2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide
CID 97073917
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
2-ethoxy-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide
CID 154771240
(2Z,4E)-2,5-diamino-5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-N-methyl-3-propan-2-ylpenta-2,4-dienamide;ethane
CID 178152198
1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
CID 81165130
5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269253
3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66174808

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide?
The IUPAC name of (2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide (CID 164638276) is (2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide.
What is the SMILES notation for (2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide?
The canonical SMILES for (2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide is CCc1cc(NC(=O)[C@@H](C)COC)nc(C)n1.
What is the InChIKey of (2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide?
The InChIKey is DTCRYSBZJACIME-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-10-6-11(14-9(3)13-10)15-12(16)8(2)7-17-4/h6,8H,5,7H2,1-4H3,(H,13,14,15,16)/t8-/m0/s1.
What are the key properties of (2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide?
(2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide is sourced from PubChem (CID 164638276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).