ethane;2-methyl-2-(6-methylpyrimidin-4-yl)propanamide

C11H19N3O — CID 172609154

IUPACethane;2-methyl-2-(6-methylpyrimidin-4-yl)propanamide
SMILESCC.Cc1cc(C(C)(C)C(N)=O)ncn1
InChIInChI=1S/C9H13N3O.C2H6/c1-6-4-7(12-5-11-6)9(2,3)8(10)13;1-2/h4-5H,1-3H3,(H2,10,13);1-2H3
InChIKeyIUJZECYFUUEJSP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.57
Rot. Bonds2

About ethane;2-methyl-2-(6-methylpyrimidin-4-yl)propanamide

ethane;2-methyl-2-(6-methylpyrimidin-4-yl)propanamide (PubChem CID 172609154) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is ethane;2-methyl-2-(6-methylpyrimidin-4-yl)propanamide.

Molecular Properties

Compound Nameethane;2-methyl-2-(6-methylpyrimidin-4-yl)propanamide
PubChem CID172609154
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Nameethane;2-methyl-2-(6-methylpyrimidin-4-yl)propanamide
SMILESCC.Cc1cc(C(C)(C)C(N)=O)ncn1
InChIInChI=1S/C9H13N3O.C2H6/c1-6-4-7(12-5-11-6)9(2,3)8(10)13;1-2/h4-5H,1-3H3,(H2,10,13);1-2H3
InChIKeyIUJZECYFUUEJSP-UHFFFAOYSA-N
XLogP1.57
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Nwcodusjqiswpm-uhfffaoysa-
CID 12450107
1-[6-(Trifluoromethyl)pyrimidin-4-yl]propan-2-one
CID 83881753
2-[6-(Trifluoromethyl)pyrimidin-4-yl]acetamide
CID 156376810
2-(2-Imidazol-1-yl-6-methylpyrimidin-4-yl)-2-methylpropanamide
CID 58654371
1-(6-Methylpyrimidin-4-yl)propan-2-one
CID 63198809
3-Methyl-1-(6-methylpyrimidin-4-yl)butan-2-one
CID 63198909
3-Methyl-1-(6-propan-2-ylpyrimidin-4-yl)butan-2-one
CID 63198950
N-methyl-6-propan-2-ylpyrimidine-4-carboxamide
CID 68177624
6-Propan-2-ylpyrimidine-4-carboxamide
CID 68177632
1-(6-Aminopyrimidin-4-yl)propan-2-one
CID 83857213
2-[6-(2,2-Dimethylpropyl)pyrimidin-4-yl]acetaldehyde
CID 87289398
2-[2-(4,5-Dihydroimidazol-1-yl)-6-methylpyrimidin-4-yl]-2-methylpropanal
CID 89012238

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-2-(6-methylpyrimidin-4-yl)propanamide?
The IUPAC name of ethane;2-methyl-2-(6-methylpyrimidin-4-yl)propanamide (CID 172609154) is ethane;2-methyl-2-(6-methylpyrimidin-4-yl)propanamide.
What is the SMILES notation for ethane;2-methyl-2-(6-methylpyrimidin-4-yl)propanamide?
The canonical SMILES for ethane;2-methyl-2-(6-methylpyrimidin-4-yl)propanamide is CC.Cc1cc(C(C)(C)C(N)=O)ncn1.
What is the InChIKey of ethane;2-methyl-2-(6-methylpyrimidin-4-yl)propanamide?
The InChIKey is IUJZECYFUUEJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.C2H6/c1-6-4-7(12-5-11-6)9(2,3)8(10)13;1-2/h4-5H,1-3H3,(H2,10,13);1-2H3.
What are the key properties of ethane;2-methyl-2-(6-methylpyrimidin-4-yl)propanamide?
ethane;2-methyl-2-(6-methylpyrimidin-4-yl)propanamide has a molecular weight of 209.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-2-(6-methylpyrimidin-4-yl)propanamide is sourced from PubChem (CID 172609154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).