2-N-(7-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine

C9H13N5O — CID 83833723

IUPAC2-N-(7-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine
SMILESCc1nc(NC(C)CN)nc2ocnc12
InChIInChI=1S/C9H13N5O/c1-5(3-10)12-9-13-6(2)7-8(14-9)15-4-11-7/h4-5H,3,10H2,1-2H3,(H,12,13,14)
InChIKeyXSJXROOARGBBOE-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.69
Rot. Bonds3

About 2-N-(7-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine

2-N-(7-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine (PubChem CID 83833723) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-N-(7-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(7-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine
PubChem CID83833723
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-N-(7-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine
SMILESCc1nc(NC(C)CN)nc2ocnc12
InChIInChI=1S/C9H13N5O/c1-5(3-10)12-9-13-6(2)7-8(14-9)15-4-11-7/h4-5H,3,10H2,1-2H3,(H,12,13,14)
InChIKeyXSJXROOARGBBOE-UHFFFAOYSA-N
XLogP0.69
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(7-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine 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-N-(7-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(7-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine (CID 83833723) is 2-N-(7-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(7-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(7-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine is Cc1nc(NC(C)CN)nc2ocnc12.
What is the InChIKey of 2-N-(7-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine?
The InChIKey is XSJXROOARGBBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-5(3-10)12-9-13-6(2)7-8(14-9)15-4-11-7/h4-5H,3,10H2,1-2H3,(H,12,13,14).
What are the key properties of 2-N-(7-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine?
2-N-(7-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine has a molecular weight of 207.24 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(7-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine is sourced from PubChem (CID 83833723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).