N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide

C11H17N3O — CID 924685

IUPACN-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
SMILESCc1cc(C)nc(NC(=O)CC(C)C)n1
InChIInChI=1S/C11H17N3O/c1-7(2)5-10(15)14-11-12-8(3)6-9(4)13-11/h6-7H,5H2,1-4H3,(H,12,13,14,15)
InChIKeyQJNGOOWSWSUMCX-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.08
Rot. Bonds3

About N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide

N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide (PubChem CID 924685) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
PubChem CID924685
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
SMILESCc1cc(C)nc(NC(=O)CC(C)C)n1
InChIInChI=1S/C11H17N3O/c1-7(2)5-10(15)14-11-12-8(3)6-9(4)13-11/h6-7H,5H2,1-4H3,(H,12,13,14,15)
InChIKeyQJNGOOWSWSUMCX-UHFFFAOYSA-N
XLogP2.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 79256943
5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid
CID 107605563
3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide
CID 62728825
(3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide
CID 107600110
N-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79287533
(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 61148022
ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate
CID 51056605
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide
CID 42996066
2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 81317594
N-(4,6-dimethylpyrimidin-2-yl)hept-5-ynamide
CID 154505217
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide
CID 107600194
3-methyl-N-(2H-tetrazol-5-yl)butanamide
CID 4550448

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide (CID 924685) is N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide is Cc1cc(C)nc(NC(=O)CC(C)C)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide?
The InChIKey is QJNGOOWSWSUMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)5-10(15)14-11-12-8(3)6-9(4)13-11/h6-7H,5H2,1-4H3,(H,12,13,14,15).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide?
N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide has a molecular weight of 207.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide is sourced from PubChem (CID 924685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).