3-methyl-3-(quinazolin-2-ylamino)butanamide

C13H16N4O — CID 106097327

IUPAC3-methyl-3-(quinazolin-2-ylamino)butanamide
SMILESCC(C)(CC(N)=O)Nc1ncc2ccccc2n1
InChIInChI=1S/C13H16N4O/c1-13(2,7-11(14)18)17-12-15-8-9-5-3-4-6-10(9)16-12/h3-6,8H,7H2,1-2H3,(H2,14,18)(H,15,16,17)
InChIKeyOBUZPUCCUJGULB-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.70
Rot. Bonds4

About 3-methyl-3-(quinazolin-2-ylamino)butanamide

3-methyl-3-(quinazolin-2-ylamino)butanamide (PubChem CID 106097327) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-methyl-3-(quinazolin-2-ylamino)butanamide.

Molecular Properties

Compound Name3-methyl-3-(quinazolin-2-ylamino)butanamide
PubChem CID106097327
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-methyl-3-(quinazolin-2-ylamino)butanamide
SMILESCC(C)(CC(N)=O)Nc1ncc2ccccc2n1
InChIInChI=1S/C13H16N4O/c1-13(2,7-11(14)18)17-12-15-8-9-5-3-4-6-10(9)16-12/h3-6,8H,7H2,1-2H3,(H2,14,18)(H,15,16,17)
InChIKeyOBUZPUCCUJGULB-UHFFFAOYSA-N
XLogP1.70
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-quinazolin-2-ylacetamide
CID 174985574
N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide
CID 114788884
3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide
CID 106097009
N'-quinazolin-2-ylethane-1,2-diamine
CID 114788771
1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870
4-[(quinazolin-2-ylamino)methyl]phenol
CID 114789330
methyl 3-methyl-2-(quinazolin-2-ylamino)butanoate
CID 114788545
3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide
CID 106095700
quinazoline-2-carboxylate
CID 19006949
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
CID 106097326
N-[(4-aminophenyl)methyl]quinazolin-2-amine
CID 114789553
3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide
CID 103529899

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(quinazolin-2-ylamino)butanamide?
The IUPAC name of 3-methyl-3-(quinazolin-2-ylamino)butanamide (CID 106097327) is 3-methyl-3-(quinazolin-2-ylamino)butanamide.
What is the SMILES notation for 3-methyl-3-(quinazolin-2-ylamino)butanamide?
The canonical SMILES for 3-methyl-3-(quinazolin-2-ylamino)butanamide is CC(C)(CC(N)=O)Nc1ncc2ccccc2n1.
What is the InChIKey of 3-methyl-3-(quinazolin-2-ylamino)butanamide?
The InChIKey is OBUZPUCCUJGULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-13(2,7-11(14)18)17-12-15-8-9-5-3-4-6-10(9)16-12/h3-6,8H,7H2,1-2H3,(H2,14,18)(H,15,16,17).
What are the key properties of 3-methyl-3-(quinazolin-2-ylamino)butanamide?
3-methyl-3-(quinazolin-2-ylamino)butanamide has a molecular weight of 244.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(quinazolin-2-ylamino)butanamide is sourced from PubChem (CID 106097327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).