N-ethyl-2,5-dimethyl-N-(oxan-4-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

C15H22N4O2 — CID 50985053

IUPACN-ethyl-2,5-dimethyl-N-(oxan-4-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCCN(CC1CCOCC1)c1nc(C)nc2oc(C)nc12
InChIInChI=1S/C15H22N4O2/c1-4-19(9-12-5-7-20-8-6-12)14-13-15(17-10(2)16-14)21-11(3)18-13/h12H,4-9H2,1-3H3
InChIKeyANUYIXCKGXFYQU-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.49
Rot. Bonds4

About N-ethyl-2,5-dimethyl-N-(oxan-4-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

N-ethyl-2,5-dimethyl-N-(oxan-4-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (PubChem CID 50985053) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-N-(oxan-4-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-N-(oxan-4-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
PubChem CID50985053
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-ethyl-2,5-dimethyl-N-(oxan-4-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCCN(CC1CCOCC1)c1nc(C)nc2oc(C)nc12
InChIInChI=1S/C15H22N4O2/c1-4-19(9-12-5-7-20-8-6-12)14-13-15(17-10(2)16-14)21-11(3)18-13/h12H,4-9H2,1-3H3
InChIKeyANUYIXCKGXFYQU-UHFFFAOYSA-N
XLogP2.49
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethyl-N-(oxan-4-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-ethyl-2,5-dimethyl-N-(oxan-4-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (CID 50985053) is N-ethyl-2,5-dimethyl-N-(oxan-4-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-ethyl-2,5-dimethyl-N-(oxan-4-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-ethyl-2,5-dimethyl-N-(oxan-4-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is CCN(CC1CCOCC1)c1nc(C)nc2oc(C)nc12.
What is the InChIKey of N-ethyl-2,5-dimethyl-N-(oxan-4-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is ANUYIXCKGXFYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-19(9-12-5-7-20-8-6-12)14-13-15(17-10(2)16-14)21-11(3)18-13/h12H,4-9H2,1-3H3.
What are the key properties of N-ethyl-2,5-dimethyl-N-(oxan-4-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
N-ethyl-2,5-dimethyl-N-(oxan-4-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 290.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethyl-N-(oxan-4-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 50985053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).