2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide

C12H19N5O — CID 72889417

IUPAC2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
SMILESCCc1c(C)nc(N)nc1NCC(=O)NC1CC1
InChIInChI=1S/C12H19N5O/c1-3-9-7(2)15-12(13)17-11(9)14-6-10(18)16-8-4-5-8/h8H,3-6H2,1-2H3,(H,16,18)(H3,13,14,15,17)
InChIKeyCEBCIQCMVWWAGP-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.62
Rot. Bonds5

About 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide

2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide (PubChem CID 72889417) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
PubChem CID72889417
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
SMILESCCc1c(C)nc(N)nc1NCC(=O)NC1CC1
InChIInChI=1S/C12H19N5O/c1-3-9-7(2)15-12(13)17-11(9)14-6-10(18)16-8-4-5-8/h8H,3-6H2,1-2H3,(H,16,18)(H3,13,14,15,17)
InChIKeyCEBCIQCMVWWAGP-UHFFFAOYSA-N
XLogP0.62
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide 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-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide (CID 72889417) is 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide is CCc1c(C)nc(N)nc1NCC(=O)NC1CC1.
What is the InChIKey of 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The InChIKey is CEBCIQCMVWWAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-9-7(2)15-12(13)17-11(9)14-6-10(18)16-8-4-5-8/h8H,3-6H2,1-2H3,(H,16,18)(H3,13,14,15,17).
What are the key properties of 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide?
2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide has a molecular weight of 249.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 72889417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).