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

C12H19N3O — CID 787336

IUPACN-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide
SMILESCc1cc(C)nc(NC(=O)CC(C)(C)C)n1
InChIInChI=1S/C12H19N3O/c1-8-6-9(2)14-11(13-8)15-10(16)7-12(3,4)5/h6H,7H2,1-5H3,(H,13,14,15,16)
InChIKeyCMQOKCMACWPSDL-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.47
Rot. Bonds2

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

N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide (PubChem CID 787336) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide
PubChem CID787336
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide
SMILESCc1cc(C)nc(NC(=O)CC(C)(C)C)n1
InChIInChI=1S/C12H19N3O/c1-8-6-9(2)14-11(13-8)15-10(16)7-12(3,4)5/h6H,7H2,1-5H3,(H,13,14,15,16)
InChIKeyCMQOKCMACWPSDL-UHFFFAOYSA-N
XLogP2.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide (CID 787336) is N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide is Cc1cc(C)nc(NC(=O)CC(C)(C)C)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide?
The InChIKey is CMQOKCMACWPSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-6-9(2)14-11(13-8)15-10(16)7-12(3,4)5/h6H,7H2,1-5H3,(H,13,14,15,16).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide?
N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide has a molecular weight of 221.30 g/mol, XLogP of 2.47, 2 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)-3,3-dimethylbutanamide is sourced from PubChem (CID 787336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).