2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide

C11H17N5OS — CID 80820565

IUPAC2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
SMILESCSc1nc(N)cc(N(C)CC(=O)NC2CC2)n1
InChIInChI=1S/C11H17N5OS/c1-16(6-10(17)13-7-3-4-7)9-5-8(12)14-11(15-9)18-2/h5,7H,3-4,6H2,1-2H3,(H,13,17)(H2,12,14,15)
InChIKeyYAOPSXWIBSMTNP-UHFFFAOYSA-N
MW267.36 g/mol
LogP0.50
Rot. Bonds5

About 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide

2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide (PubChem CID 80820565) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
PubChem CID80820565
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
SMILESCSc1nc(N)cc(N(C)CC(=O)NC2CC2)n1
InChIInChI=1S/C11H17N5OS/c1-16(6-10(17)13-7-3-4-7)9-5-8(12)14-11(15-9)18-2/h5,7H,3-4,6H2,1-2H3,(H,13,17)(H2,12,14,15)
InChIKeyYAOPSXWIBSMTNP-UHFFFAOYSA-N
XLogP0.50
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-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

Related Compounds

2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 80778671
2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 43577856
4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80775599
N-cyclopropyl-2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80960767
N-cyclopropyl-2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]acetamide
CID 80947351
N-cyclopropyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]acetamide
CID 106775558
N-cyclopropyl-2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80934592
N-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 114564651
2-[(5-aminopyrimidin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 61145458
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80960605
N-cyclopropyl-2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]acetamide
CID 80941047
N-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 62627578

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide (CID 80820565) is 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide is CSc1nc(N)cc(N(C)CC(=O)NC2CC2)n1.
What is the InChIKey of 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide?
The InChIKey is YAOPSXWIBSMTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-16(6-10(17)13-7-3-4-7)9-5-8(12)14-11(15-9)18-2/h5,7H,3-4,6H2,1-2H3,(H,13,17)(H2,12,14,15).
What are the key properties of 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide?
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide has a molecular weight of 267.36 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 80820565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).