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

C18H17N5O — CID 70737637

IUPAC2-ethyl-N-methyl-N-(quinolin-5-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCCc1nc2c(N(C)Cc3cccc4ncccc34)ncnc2o1
InChIInChI=1S/C18H17N5O/c1-3-15-22-16-17(20-11-21-18(16)24-15)23(2)10-12-6-4-8-14-13(12)7-5-9-19-14/h4-9,11H,3,10H2,1-2H3
InChIKeyPEFGYIWPQPPZKS-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.36
Rot. Bonds4

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

2-ethyl-N-methyl-N-(quinolin-5-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (PubChem CID 70737637) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-(quinolin-5-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-(quinolin-5-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
PubChem CID70737637
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-ethyl-N-methyl-N-(quinolin-5-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCCc1nc2c(N(C)Cc3cccc4ncccc34)ncnc2o1
InChIInChI=1S/C18H17N5O/c1-3-15-22-16-17(20-11-21-18(16)24-15)23(2)10-12-6-4-8-14-13(12)7-5-9-19-14/h4-9,11H,3,10H2,1-2H3
InChIKeyPEFGYIWPQPPZKS-UHFFFAOYSA-N
XLogP3.36
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-(quinolin-5-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-ethyl-N-methyl-N-(quinolin-5-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (CID 70737637) is 2-ethyl-N-methyl-N-(quinolin-5-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-ethyl-N-methyl-N-(quinolin-5-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-ethyl-N-methyl-N-(quinolin-5-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is CCc1nc2c(N(C)Cc3cccc4ncccc34)ncnc2o1.
What is the InChIKey of 2-ethyl-N-methyl-N-(quinolin-5-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is PEFGYIWPQPPZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-3-15-22-16-17(20-11-21-18(16)24-15)23(2)10-12-6-4-8-14-13(12)7-5-9-19-14/h4-9,11H,3,10H2,1-2H3.
What are the key properties of 2-ethyl-N-methyl-N-(quinolin-5-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
2-ethyl-N-methyl-N-(quinolin-5-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 319.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-(quinolin-5-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 70737637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).