2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C17H17N7O — CID 126585795

IUPAC2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1nc(NCc2noc(C)n2)c2c(ccn2Cc2ccccn2)n1
InChIInChI=1S/C17H17N7O/c1-11-20-14-6-8-24(10-13-5-3-4-7-18-13)16(14)17(21-11)19-9-15-22-12(2)25-23-15/h3-8H,9-10H2,1-2H3,(H,19,20,21)
InChIKeyWVFSZOHTKUYYTE-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.49
Rot. Bonds5

About 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 126585795) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID126585795
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1nc(NCc2noc(C)n2)c2c(ccn2Cc2ccccn2)n1
InChIInChI=1S/C17H17N7O/c1-11-20-14-6-8-24(10-13-5-3-4-7-18-13)16(14)17(21-11)19-9-15-22-12(2)25-23-15/h3-8H,9-10H2,1-2H3,(H,19,20,21)
InChIKeyWVFSZOHTKUYYTE-UHFFFAOYSA-N
XLogP2.49
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine 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

4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118335026
6-[[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide
CID 126585792
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine
CID 126585667
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 103748375
2-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine chloride
CID 53346777
5-benzyl-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 126585687
3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]propan-1-ol
CID 126585719
6-hydrazinyl-2,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 106412399
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide
CID 114183857
4-methyl-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,3-diamine
CID 106393081
5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 161103375
2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine
CID 106405358

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 126585795) is 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is Cc1nc(NCc2noc(C)n2)c2c(ccn2Cc2ccccn2)n1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is WVFSZOHTKUYYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-11-20-14-6-8-24(10-13-5-3-4-7-18-13)16(14)17(21-11)19-9-15-22-12(2)25-23-15/h3-8H,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 335.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 126585795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).