2-(tert-butylamino)-N-(4,6-dimethylpyrimidin-2-yl)acetamide

C12H20N4O — CID 79256943

IUPAC2-(tert-butylamino)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)CNC(C)(C)C)n1
InChIInChI=1S/C12H20N4O/c1-8-6-9(2)15-11(14-8)16-10(17)7-13-12(3,4)5/h6,13H,7H2,1-5H3,(H,14,15,16,17)
InChIKeyRBWDSABTXFCRQU-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.42
Rot. Bonds3

About 2-(tert-butylamino)-N-(4,6-dimethylpyrimidin-2-yl)acetamide

2-(tert-butylamino)-N-(4,6-dimethylpyrimidin-2-yl)acetamide (PubChem CID 79256943) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(4,6-dimethylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
PubChem CID79256943
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(tert-butylamino)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)CNC(C)(C)C)n1
InChIInChI=1S/C12H20N4O/c1-8-6-9(2)15-11(14-8)16-10(17)7-13-12(3,4)5/h6,13H,7H2,1-5H3,(H,14,15,16,17)
InChIKeyRBWDSABTXFCRQU-UHFFFAOYSA-N
XLogP1.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-Dimethylpyrimidin-2-yl)acetamide
CID 659932
1-(4,6-Dimethyl-2-pyrimidyl)piperazine
CID 2758651
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (1,1-dimethyl-propyl)-amide
CID 653435
1-[2-[Cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide
CID 666064
N-cyclohexyl-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-4,5-dihydro-1H-imidazole-1-carboxamide
CID 938501
Urea, (4,6-dimethyl-2-pyrimidinyl)-
CID 156499
2-Acetamido-4,6-dimethylpyrimidine
CID 3489296
2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide
CID 2909654
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid propylamide
CID 655911
2-[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-N,N-diethyl-propionamide
CID 3130268
2-[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-N,N-diethyl-acetamide
CID 1903179
1-(4,6-Dimethylpyrimidin-2-yl)-2-imino-3-methylimidazolidin-4-one
CID 742816

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(4,6-dimethylpyrimidin-2-yl)acetamide (CID 79256943) is 2-(tert-butylamino)-N-(4,6-dimethylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(4,6-dimethylpyrimidin-2-yl)acetamide is Cc1cc(C)nc(NC(=O)CNC(C)(C)C)n1.
What is the InChIKey of 2-(tert-butylamino)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The InChIKey is RBWDSABTXFCRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-6-9(2)15-11(14-8)16-10(17)7-13-12(3,4)5/h6,13H,7H2,1-5H3,(H,14,15,16,17).
What are the key properties of 2-(tert-butylamino)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
2-(tert-butylamino)-N-(4,6-dimethylpyrimidin-2-yl)acetamide has a molecular weight of 236.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(4,6-dimethylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 79256943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).