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

C12H19N3O — CID 3283435

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C12H19N3O/c1-6-12(4,5)10(16)15-11-13-8(2)7-9(3)14-11/h7H,6H2,1-5H3,(H,13,14,15,16)
InChIKeyPKBILXAUOJWNHN-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.47
Rot. Bonds3

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

N-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylbutanamide (PubChem CID 3283435) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylbutanamide
PubChem CID3283435
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C12H19N3O/c1-6-12(4,5)10(16)15-11-13-8(2)7-9(3)14-11/h7H,6H2,1-5H3,(H,13,14,15,16)
InChIKeyPKBILXAUOJWNHN-UHFFFAOYSA-N
XLogP2.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

2-(4,6-Dimethylpyrimidin-2-yl)acetamide
CID 659932
3-(Tert-butyl)-1-(4,6-dimethylpyrimidin-2-yl)-2-pyrazolin-5-one
CID 2984810
2-Acetamido-4,6-dimethylpyrimidine
CID 3489296
N-(4,6-dimethylpyrimidin-2-yl)-3-oxobutanamide
CID 1475982
2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 4887072
Urea, (4,6-dimethyl-2-pyrimidinyl)-
CID 156499
N-(4,6-dimethyl-2-pyrimidinyl)-2-methylpropanamide
CID 1234520
1-(4,6-Dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 2996976
Pyrimidine, 2-t-butylamino-4,6-dimethyl-
CID 58745492
1-(4,6-Dimethylpyrimidin-2-yl)-2-(3-methylbutyl)guanidine
CID 591013
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
CID 16442200
N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide
CID 43616346

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylbutanamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylbutanamide (CID 3283435) is N-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1nc(C)cc(C)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylbutanamide?
The InChIKey is PKBILXAUOJWNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-6-12(4,5)10(16)15-11-13-8(2)7-9(3)14-11/h7H,6H2,1-5H3,(H,13,14,15,16).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylbutanamide?
N-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylbutanamide has a molecular weight of 221.30 g/mol, XLogP of 2.47, 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)-2,2-dimethylbutanamide is sourced from PubChem (CID 3283435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).