N-(2,4-dimethoxyphenyl)-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C16H18N4O3 — CID 52998677

IUPACN-(2,4-dimethoxyphenyl)-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCc1noc2nc(C)nc(Nc3ccc(OC)cc3OC)c12
InChIInChI=1S/C16H18N4O3/c1-5-11-14-15(17-9(2)18-16(14)23-20-11)19-12-7-6-10(21-3)8-13(12)22-4/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyJENDFVZEBOGCHU-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.25
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-(2,4-dimethoxyphenyl)-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 52998677) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID52998677
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-(2,4-dimethoxyphenyl)-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCc1noc2nc(C)nc(Nc3ccc(OC)cc3OC)c12
InChIInChI=1S/C16H18N4O3/c1-5-11-14-15(17-9(2)18-16(14)23-20-11)19-12-7-6-10(21-3)8-13(12)22-4/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyJENDFVZEBOGCHU-UHFFFAOYSA-N
XLogP3.25
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 52998677) is N-(2,4-dimethoxyphenyl)-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is CCc1noc2nc(C)nc(Nc3ccc(OC)cc3OC)c12.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is JENDFVZEBOGCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-5-11-14-15(17-9(2)18-16(14)23-20-11)19-12-7-6-10(21-3)8-13(12)22-4/h6-8H,5H2,1-4H3,(H,17,18,19).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-(2,4-dimethoxyphenyl)-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 314.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 52998677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).