4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide

C11H17N3O — CID 110848394

IUPAC4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCc1ncnc(C)c1C(=O)NCC(C)C
InChIInChI=1S/C11H17N3O/c1-7(2)5-12-11(15)10-8(3)13-6-14-9(10)4/h6-7H,5H2,1-4H3,(H,12,15)
InChIKeyYOBRIFHDQHLNFE-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.48
Rot. Bonds3

About 4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide

4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide (PubChem CID 110848394) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide
PubChem CID110848394
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCc1ncnc(C)c1C(=O)NCC(C)C
InChIInChI=1S/C11H17N3O/c1-7(2)5-12-11(15)10-8(3)13-6-14-9(10)4/h6-7H,5H2,1-4H3,(H,12,15)
InChIKeyYOBRIFHDQHLNFE-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetyl-3,4,5,6-tetramethyl-N-(2-methylpropyl)benzamide
CID 22946327
2,3,4,6-tetramethyl-N-(2-methylpropyl)benzamide
CID 123912379
6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340475
6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340453
1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 24712291
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 91187790
N-(2-methylpropyl)quinazoline-7-carboxamide
CID 122423883
2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 21405310
5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 130703712
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 86629513
3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide
CID 112690090

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide (CID 110848394) is 4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide is Cc1ncnc(C)c1C(=O)NCC(C)C.
What is the InChIKey of 4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The InChIKey is YOBRIFHDQHLNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)5-12-11(15)10-8(3)13-6-14-9(10)4/h6-7H,5H2,1-4H3,(H,12,15).
What are the key properties of 4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide?
4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 110848394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).