2-[4-amino-6-(methylamino)pyrimidin-5-yl]acetamide

C7H11N5O — CID 123510314

IUPAC2-[4-amino-6-(methylamino)pyrimidin-5-yl]acetamide
SMILESCNc1ncnc(N)c1CC(N)=O
InChIInChI=1S/C7H11N5O/c1-10-7-4(2-5(8)13)6(9)11-3-12-7/h3H,2H2,1H3,(H2,8,13)(H3,9,10,11,12)
InChIKeyCFDRGMHHSSZLHD-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.87
Rot. Bonds3

About 2-[4-amino-6-(methylamino)pyrimidin-5-yl]acetamide

2-[4-amino-6-(methylamino)pyrimidin-5-yl]acetamide (PubChem CID 123510314) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-[4-amino-6-(methylamino)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-[4-amino-6-(methylamino)pyrimidin-5-yl]acetamide
PubChem CID123510314
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name2-[4-amino-6-(methylamino)pyrimidin-5-yl]acetamide
SMILESCNc1ncnc(N)c1CC(N)=O
InChIInChI=1S/C7H11N5O/c1-10-7-4(2-5(8)13)6(9)11-3-12-7/h3H,2H2,1H3,(H2,8,13)(H3,9,10,11,12)
InChIKeyCFDRGMHHSSZLHD-UHFFFAOYSA-N
XLogP-0.87
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-amino-6-(methylamino)pyrimidin-5-yl]acetamide 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 2-[4-amino-6-(methylamino)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-[4-amino-6-(methylamino)pyrimidin-5-yl]acetamide (CID 123510314) is 2-[4-amino-6-(methylamino)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-[4-amino-6-(methylamino)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-[4-amino-6-(methylamino)pyrimidin-5-yl]acetamide is CNc1ncnc(N)c1CC(N)=O.
What is the InChIKey of 2-[4-amino-6-(methylamino)pyrimidin-5-yl]acetamide?
The InChIKey is CFDRGMHHSSZLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-10-7-4(2-5(8)13)6(9)11-3-12-7/h3H,2H2,1H3,(H2,8,13)(H3,9,10,11,12).
What are the key properties of 2-[4-amino-6-(methylamino)pyrimidin-5-yl]acetamide?
2-[4-amino-6-(methylamino)pyrimidin-5-yl]acetamide has a molecular weight of 181.20 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-(methylamino)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 123510314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).