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

C16H18N4O3 — CID 99836629

IUPACN-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3onc(C)c23)cc1OC(C)C
InChIInChI=1S/C16H18N4O3/c1-9(2)22-13-7-11(5-6-12(13)21-4)19-15-14-10(3)20-23-16(14)18-8-17-15/h5-9H,1-4H3,(H,17,18,19)
InChIKeyDTRADAOGCPFRLT-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.47
Rot. Bonds5

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

N-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 99836629) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID99836629
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3onc(C)c23)cc1OC(C)C
InChIInChI=1S/C16H18N4O3/c1-9(2)22-13-7-11(5-6-12(13)21-4)19-15-14-10(3)20-23-16(14)18-8-17-15/h5-9H,1-4H3,(H,17,18,19)
InChIKeyDTRADAOGCPFRLT-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 99836629) is N-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is COc1ccc(Nc2ncnc3onc(C)c23)cc1OC(C)C.
What is the InChIKey of N-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is DTRADAOGCPFRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-9(2)22-13-7-11(5-6-12(13)21-4)19-15-14-10(3)20-23-16(14)18-8-17-15/h5-9H,1-4H3,(H,17,18,19).
What are the key properties of N-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 314.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 99836629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).