2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide

C11H19N5O — CID 80793358

IUPAC2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCc1nc(N)c(C)c(NCC(=O)NC(C)C)n1
InChIInChI=1S/C11H19N5O/c1-6(2)14-9(17)5-13-11-7(3)10(12)15-8(4)16-11/h6H,5H2,1-4H3,(H,14,17)(H3,12,13,15,16)
InChIKeyPWKQNBWNUVZNHI-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.61
Rot. Bonds4

About 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide

2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide (PubChem CID 80793358) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
PubChem CID80793358
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCc1nc(N)c(C)c(NCC(=O)NC(C)C)n1
InChIInChI=1S/C11H19N5O/c1-6(2)14-9(17)5-13-11-7(3)10(12)15-8(4)16-11/h6H,5H2,1-4H3,(H,14,17)(H3,12,13,15,16)
InChIKeyPWKQNBWNUVZNHI-UHFFFAOYSA-N
XLogP0.61
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide 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-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide (CID 80793358) is 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide is Cc1nc(N)c(C)c(NCC(=O)NC(C)C)n1.
What is the InChIKey of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is PWKQNBWNUVZNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-6(2)14-9(17)5-13-11-7(3)10(12)15-8(4)16-11/h6H,5H2,1-4H3,(H,14,17)(H3,12,13,15,16).
What are the key properties of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 237.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80793358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).