3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C12H17N5O — CID 55172610

IUPAC3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NCC3CCNCC3)c12
InChIInChI=1S/C12H17N5O/c1-8-10-11(15-7-16-12(10)18-17-8)14-6-9-2-4-13-5-3-9/h7,9,13H,2-6H2,1H3,(H,14,15,16)
InChIKeyOCTNBKTZMNUAAI-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.34
Rot. Bonds3

About 3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 55172610) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID55172610
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NCC3CCNCC3)c12
InChIInChI=1S/C12H17N5O/c1-8-10-11(15-7-16-12(10)18-17-8)14-6-9-2-4-13-5-3-9/h7,9,13H,2-6H2,1H3,(H,14,15,16)
InChIKeyOCTNBKTZMNUAAI-UHFFFAOYSA-N
XLogP1.34
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 55172610) is 3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1noc2ncnc(NCC3CCNCC3)c12.
What is the InChIKey of 3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is OCTNBKTZMNUAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-10-11(15-7-16-12(10)18-17-8)14-6-9-2-4-13-5-3-9/h7,9,13H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 55172610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).