3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide

C10H16N4O — CID 103529899

IUPAC3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide
SMILESCC(C)(CC(N)=O)NCc1ncccn1
InChIInChI=1S/C10H16N4O/c1-10(2,6-8(11)15)14-7-9-12-4-3-5-13-9/h3-5,14H,6-7H2,1-2H3,(H2,11,15)
InChIKeySDTFOSUWBTYZMM-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.22
Rot. Bonds5

About 3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide

3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide (PubChem CID 103529899) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide.

Molecular Properties

Compound Name3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide
PubChem CID103529899
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide
SMILESCC(C)(CC(N)=O)NCc1ncccn1
InChIInChI=1S/C10H16N4O/c1-10(2,6-8(11)15)14-7-9-12-4-3-5-13-9/h3-5,14H,6-7H2,1-2H3,(H2,11,15)
InChIKeySDTFOSUWBTYZMM-UHFFFAOYSA-N
XLogP0.22
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide
CID 104580103
3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide
CID 104580524
3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 106096010
3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutanamide
CID 113429156
3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide
CID 104580210
3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide
CID 106096039
2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol
CID 103529754
3-[(3-chlorophenyl)methylamino]-3-methylbutanamide
CID 104580168
3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide
CID 106096469
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-3-methylbutanamide
CID 106096843
3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide
CID 104666922
3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide
CID 106095989

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide?
The IUPAC name of 3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide (CID 103529899) is 3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide.
What is the SMILES notation for 3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide?
The canonical SMILES for 3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide is CC(C)(CC(N)=O)NCc1ncccn1.
What is the InChIKey of 3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide?
The InChIKey is SDTFOSUWBTYZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-10(2,6-8(11)15)14-7-9-12-4-3-5-13-9/h3-5,14H,6-7H2,1-2H3,(H2,11,15).
What are the key properties of 3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide?
3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide has a molecular weight of 208.26 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide is sourced from PubChem (CID 103529899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).