2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide

C10H16N4O — CID 119317714

IUPAC2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide
SMILESCc1ncc(NC(=O)C(N)C(C)C)cn1
InChIInChI=1S/C10H16N4O/c1-6(2)9(11)10(15)14-8-4-12-7(3)13-5-8/h4-6,9H,11H2,1-3H3,(H,14,15)
InChIKeyLFFWWWKTNOSMQS-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.71
Rot. Bonds3

About 2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide

2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide (PubChem CID 119317714) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide
PubChem CID119317714
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide
SMILESCc1ncc(NC(=O)C(N)C(C)C)cn1
InChIInChI=1S/C10H16N4O/c1-6(2)9(11)10(15)14-8-4-12-7(3)13-5-8/h4-6,9H,11H2,1-3H3,(H,14,15)
InChIKeyLFFWWWKTNOSMQS-UHFFFAOYSA-N
XLogP0.71
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-methylpyrimidin-5-yl)propanamide
CID 131183260
2-amino-N-(2-methylpyrimidin-5-yl)butanamide
CID 83617934
(2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 119884719
(2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide
CID 79013276
2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide
CID 43540260
2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-methylbutanamide
CID 43705956
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
2-hydroxy-N-(2-methylpyrimidin-5-yl)acetamide
CID 83815969
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119261958
4-[[(2S)-2-amino-3-methylbutanoyl]amino]benzamide
CID 22690703
(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 61148022

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide (CID 119317714) is 2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide is Cc1ncc(NC(=O)C(N)C(C)C)cn1.
What is the InChIKey of 2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide?
The InChIKey is LFFWWWKTNOSMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-6(2)9(11)10(15)14-8-4-12-7(3)13-5-8/h4-6,9H,11H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide?
2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide has a molecular weight of 208.26 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide is sourced from PubChem (CID 119317714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).