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

C12H17N5O2 — CID 20924687

IUPAC3-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NCCN3CCOCC3)c12
InChIInChI=1S/C12H17N5O2/c1-9-10-11(14-8-15-12(10)19-16-9)13-2-3-17-4-6-18-7-5-17/h8H,2-7H2,1H3,(H,13,14,15)
InChIKeyHMHWGHODQCRBSD-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.67
Rot. Bonds4

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

3-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 20924687) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID20924687
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name3-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NCCN3CCOCC3)c12
InChIInChI=1S/C12H17N5O2/c1-9-10-11(14-8-15-12(10)19-16-9)13-2-3-17-4-6-18-7-5-17/h8H,2-7H2,1H3,(H,13,14,15)
InChIKeyHMHWGHODQCRBSD-UHFFFAOYSA-N
XLogP0.67
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 20924687) is 3-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1noc2ncnc(NCCN3CCOCC3)c12.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is HMHWGHODQCRBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-9-10-11(14-8-15-12(10)19-16-9)13-2-3-17-4-6-18-7-5-17/h8H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 3-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 263.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 20924687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).