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

C14H14N4O3 — CID 20924754

IUPACN-(3,5-dimethoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3onc(C)c23)cc(OC)c1
InChIInChI=1S/C14H14N4O3/c1-8-12-13(15-7-16-14(12)21-18-8)17-9-4-10(19-2)6-11(5-9)20-3/h4-7H,1-3H3,(H,15,16,17)
InChIKeyOFZXGJPJEMFKAL-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.69
Rot. Bonds4

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

N-(3,5-dimethoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 20924754) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID20924754
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN-(3,5-dimethoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3onc(C)c23)cc(OC)c1
InChIInChI=1S/C14H14N4O3/c1-8-12-13(15-7-16-14(12)21-18-8)17-9-4-10(19-2)6-11(5-9)20-3/h4-7H,1-3H3,(H,15,16,17)
InChIKeyOFZXGJPJEMFKAL-UHFFFAOYSA-N
XLogP2.69
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 20924754) is N-(3,5-dimethoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is COc1cc(Nc2ncnc3onc(C)c23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is OFZXGJPJEMFKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-8-12-13(15-7-16-14(12)21-18-8)17-9-4-10(19-2)6-11(5-9)20-3/h4-7H,1-3H3,(H,15,16,17).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-(3,5-dimethoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 286.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 20924754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).