2-[(2-tert-butylpyrimidin-5-yl)methylamino]-2-methylpropanamide

C13H22N4O — CID 114276605

IUPAC2-[(2-tert-butylpyrimidin-5-yl)methylamino]-2-methylpropanamide
SMILESCC(C)(NCc1cnc(C(C)(C)C)nc1)C(N)=O
InChIInChI=1S/C13H22N4O/c1-12(2,3)11-15-6-9(7-16-11)8-17-13(4,5)10(14)18/h6-7,17H,8H2,1-5H3,(H2,14,18)
InChIKeyNZZLOQZLZYOQFH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.13
Rot. Bonds4

About 2-[(2-tert-butylpyrimidin-5-yl)methylamino]-2-methylpropanamide

2-[(2-tert-butylpyrimidin-5-yl)methylamino]-2-methylpropanamide (PubChem CID 114276605) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[(2-tert-butylpyrimidin-5-yl)methylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(2-tert-butylpyrimidin-5-yl)methylamino]-2-methylpropanamide
PubChem CID114276605
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[(2-tert-butylpyrimidin-5-yl)methylamino]-2-methylpropanamide
SMILESCC(C)(NCc1cnc(C(C)(C)C)nc1)C(N)=O
InChIInChI=1S/C13H22N4O/c1-12(2,3)11-15-6-9(7-16-11)8-17-13(4,5)10(14)18/h6-7,17H,8H2,1-5H3,(H2,14,18)
InChIKeyNZZLOQZLZYOQFH-UHFFFAOYSA-N
XLogP1.13
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(1,2-oxazol-4-ylmethylamino)propanamide
CID 61220569
methyl (2S)-2-[(2-tert-butylpyrimidin-5-yl)methylamino]propanoate
CID 114276603
N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine
CID 62755323
2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 55234828
2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide
CID 103571495
4-[(2-tert-butylpyrimidin-5-yl)methylamino]-2,2-dimethylbutanoic acid
CID 122127481
2-[(4-methoxyphenyl)methylamino]-2-methylpropanamide
CID 61212921
2-methyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 61221118
3-(2-tert-butylpyrimidin-5-yl)propanoic acid
CID 82395371
3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 61220189
2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 61220570
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 83089472

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylpyrimidin-5-yl)methylamino]-2-methylpropanamide?
The IUPAC name of 2-[(2-tert-butylpyrimidin-5-yl)methylamino]-2-methylpropanamide (CID 114276605) is 2-[(2-tert-butylpyrimidin-5-yl)methylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[(2-tert-butylpyrimidin-5-yl)methylamino]-2-methylpropanamide?
The canonical SMILES for 2-[(2-tert-butylpyrimidin-5-yl)methylamino]-2-methylpropanamide is CC(C)(NCc1cnc(C(C)(C)C)nc1)C(N)=O.
What is the InChIKey of 2-[(2-tert-butylpyrimidin-5-yl)methylamino]-2-methylpropanamide?
The InChIKey is NZZLOQZLZYOQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-12(2,3)11-15-6-9(7-16-11)8-17-13(4,5)10(14)18/h6-7,17H,8H2,1-5H3,(H2,14,18).
What are the key properties of 2-[(2-tert-butylpyrimidin-5-yl)methylamino]-2-methylpropanamide?
2-[(2-tert-butylpyrimidin-5-yl)methylamino]-2-methylpropanamide has a molecular weight of 250.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylpyrimidin-5-yl)methylamino]-2-methylpropanamide is sourced from PubChem (CID 114276605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).