1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one

C11H18N4O — CID 58679014

IUPAC1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one
SMILESCc1cc(NCC(=O)C(C)(C)C)nc(N)n1
InChIInChI=1S/C11H18N4O/c1-7-5-9(15-10(12)14-7)13-6-8(16)11(2,3)4/h5H,6H2,1-4H3,(H3,12,13,14,15)
InChIKeyVWXOPEDVFRHXGK-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.39
Rot. Bonds3

About 1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one

1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one (PubChem CID 58679014) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one
PubChem CID58679014
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one
SMILESCc1cc(NCC(=O)C(C)(C)C)nc(N)n1
InChIInChI=1S/C11H18N4O/c1-7-5-9(15-10(12)14-7)13-6-8(16)11(2,3)4/h5H,6H2,1-4H3,(H3,12,13,14,15)
InChIKeyVWXOPEDVFRHXGK-UHFFFAOYSA-N
XLogP1.39
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one (CID 58679014) is 1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one is Cc1cc(NCC(=O)C(C)(C)C)nc(N)n1.
What is the InChIKey of 1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one?
The InChIKey is VWXOPEDVFRHXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-5-9(15-10(12)14-7)13-6-8(16)11(2,3)4/h5H,6H2,1-4H3,(H3,12,13,14,15).
What are the key properties of 1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one?
1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one has a molecular weight of 222.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 58679014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).