N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C16H16N4O — CID 100660869

IUPACN-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)CC(CCNc1ncnc3oncc13)C2
InChIInChI=1S/C16H16N4O/c1-2-4-13-8-11(7-12(13)3-1)5-6-17-15-14-9-20-21-16(14)19-10-18-15/h1-4,9-11H,5-8H2,(H,17,18,19)
InChIKeyIFYLAMLFNBCDSI-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.83
Rot. Bonds4

About N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 100660869) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID100660869
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)CC(CCNc1ncnc3oncc13)C2
InChIInChI=1S/C16H16N4O/c1-2-4-13-8-11(7-12(13)3-1)5-6-17-15-14-9-20-21-16(14)19-10-18-15/h1-4,9-11H,5-8H2,(H,17,18,19)
InChIKeyIFYLAMLFNBCDSI-UHFFFAOYSA-N
XLogP2.83
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 100660869) is N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is c1ccc2c(c1)CC(CCNc1ncnc3oncc13)C2.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is IFYLAMLFNBCDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-4-13-8-11(7-12(13)3-1)5-6-17-15-14-9-20-21-16(14)19-10-18-15/h1-4,9-11H,5-8H2,(H,17,18,19).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 280.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 100660869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).