3-methyl-2-(methylamino)-N-(6-methylpyrimidin-4-yl)butanamide

C11H18N4O — CID 110838078

IUPAC3-methyl-2-(methylamino)-N-(6-methylpyrimidin-4-yl)butanamide
SMILESCNC(C(=O)Nc1cc(C)ncn1)C(C)C
InChIInChI=1S/C11H18N4O/c1-7(2)10(12-4)11(16)15-9-5-8(3)13-6-14-9/h5-7,10,12H,1-4H3,(H,13,14,15,16)
InChIKeyTVAKZOYASSSBQL-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.97
Rot. Bonds4

About 3-methyl-2-(methylamino)-N-(6-methylpyrimidin-4-yl)butanamide

3-methyl-2-(methylamino)-N-(6-methylpyrimidin-4-yl)butanamide (PubChem CID 110838078) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-methyl-2-(methylamino)-N-(6-methylpyrimidin-4-yl)butanamide.

Molecular Properties

Compound Name3-methyl-2-(methylamino)-N-(6-methylpyrimidin-4-yl)butanamide
PubChem CID110838078
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-methyl-2-(methylamino)-N-(6-methylpyrimidin-4-yl)butanamide
SMILESCNC(C(=O)Nc1cc(C)ncn1)C(C)C
InChIInChI=1S/C11H18N4O/c1-7(2)10(12-4)11(16)15-9-5-8(3)13-6-14-9/h5-7,10,12H,1-4H3,(H,13,14,15,16)
InChIKeyTVAKZOYASSSBQL-UHFFFAOYSA-N
XLogP0.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 61225499
6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 61225495
1-methyl-2-(6-methylpyrimidin-4-yl)hydrazine
CID 119083381
2-azido-N-(6-methylpyrimidin-4-yl)acetamide
CID 166398031
(2S)-4-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
CID 122050185
2-[(6-methylpyrimidin-4-yl)amino]ethylurea
CID 79033984
1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol
CID 61226295
methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate
CID 90453684
2-(methylamino)-N-(4-methyl-2-pyridinyl)propanamide
CID 62639101
propan-2-yl 2-methyl-3-[(6-methylpyrimidin-4-yl)amino]propanoate
CID 133325454
2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid
CID 13054264
6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine
CID 102609023

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylamino)-N-(6-methylpyrimidin-4-yl)butanamide?
The IUPAC name of 3-methyl-2-(methylamino)-N-(6-methylpyrimidin-4-yl)butanamide (CID 110838078) is 3-methyl-2-(methylamino)-N-(6-methylpyrimidin-4-yl)butanamide.
What is the SMILES notation for 3-methyl-2-(methylamino)-N-(6-methylpyrimidin-4-yl)butanamide?
The canonical SMILES for 3-methyl-2-(methylamino)-N-(6-methylpyrimidin-4-yl)butanamide is CNC(C(=O)Nc1cc(C)ncn1)C(C)C.
What is the InChIKey of 3-methyl-2-(methylamino)-N-(6-methylpyrimidin-4-yl)butanamide?
The InChIKey is TVAKZOYASSSBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7(2)10(12-4)11(16)15-9-5-8(3)13-6-14-9/h5-7,10,12H,1-4H3,(H,13,14,15,16).
What are the key properties of 3-methyl-2-(methylamino)-N-(6-methylpyrimidin-4-yl)butanamide?
3-methyl-2-(methylamino)-N-(6-methylpyrimidin-4-yl)butanamide has a molecular weight of 222.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylamino)-N-(6-methylpyrimidin-4-yl)butanamide is sourced from PubChem (CID 110838078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).