4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-2-one

C12H19N5O — CID 80657377

IUPAC4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-2-one
SMILESCc1cc(N)nc(CN2CCNC(=O)C2(C)C)n1
InChIInChI=1S/C12H19N5O/c1-8-6-9(13)16-10(15-8)7-17-5-4-14-11(18)12(17,2)3/h6H,4-5,7H2,1-3H3,(H,14,18)(H2,13,15,16)
InChIKeyBQPACDKINFBRJF-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.08
Rot. Bonds2

About 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-2-one

4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-2-one (PubChem CID 80657377) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-2-one
PubChem CID80657377
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-2-one
SMILESCc1cc(N)nc(CN2CCNC(=O)C2(C)C)n1
InChIInChI=1S/C12H19N5O/c1-8-6-9(13)16-10(15-8)7-17-5-4-14-11(18)12(17,2)3/h6H,4-5,7H2,1-3H3,(H,14,18)(H2,13,15,16)
InChIKeyBQPACDKINFBRJF-UHFFFAOYSA-N
XLogP0.08
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-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 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-2-one (CID 80657377) is 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-2-one is Cc1cc(N)nc(CN2CCNC(=O)C2(C)C)n1.
What is the InChIKey of 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is BQPACDKINFBRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8-6-9(13)16-10(15-8)7-17-5-4-14-11(18)12(17,2)3/h6H,4-5,7H2,1-3H3,(H,14,18)(H2,13,15,16).
What are the key properties of 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-2-one?
4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 249.32 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 80657377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).