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

C15H16N4O2 — CID 52998660

IUPACN-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2nc(C)nc3onc(C)c23)cc1
InChIInChI=1S/C15H16N4O2/c1-4-20-12-7-5-11(6-8-12)18-14-13-9(2)19-21-15(13)17-10(3)16-14/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeySROYEDQQONBRBZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.38
Rot. Bonds4

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

N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 52998660) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID52998660
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2nc(C)nc3onc(C)c23)cc1
InChIInChI=1S/C15H16N4O2/c1-4-20-12-7-5-11(6-8-12)18-14-13-9(2)19-21-15(13)17-10(3)16-14/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeySROYEDQQONBRBZ-UHFFFAOYSA-N
XLogP3.38
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 52998660) is N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is CCOc1ccc(Nc2nc(C)nc3onc(C)c23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is SROYEDQQONBRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-4-20-12-7-5-11(6-8-12)18-14-13-9(2)19-21-15(13)17-10(3)16-14/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 284.32 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 52998660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).