N-(4-ethylphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C15H16N4O — CID 53004447

IUPACN-(4-ethylphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCc1ccc(Nc2nc(C)nc3onc(C)c23)cc1
InChIInChI=1S/C15H16N4O/c1-4-11-5-7-12(8-6-11)18-14-13-9(2)19-20-15(13)17-10(3)16-14/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyYDBRCQRLAVHJTG-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.54
Rot. Bonds3

About N-(4-ethylphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-(4-ethylphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 53004447) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID53004447
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(4-ethylphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCc1ccc(Nc2nc(C)nc3onc(C)c23)cc1
InChIInChI=1S/C15H16N4O/c1-4-11-5-7-12(8-6-11)18-14-13-9(2)19-20-15(13)17-10(3)16-14/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyYDBRCQRLAVHJTG-UHFFFAOYSA-N
XLogP3.54
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-ethylphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 53004447) is N-(4-ethylphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-ethylphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-ethylphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is CCc1ccc(Nc2nc(C)nc3onc(C)c23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is YDBRCQRLAVHJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-4-11-5-7-12(8-6-11)18-14-13-9(2)19-20-15(13)17-10(3)16-14/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of N-(4-ethylphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-(4-ethylphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 53004447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).