N-(2-cyclohexylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C13H18N4O — CID 100658073

IUPACN-(2-cyclohexylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESc1nc(NCCC2CCCCC2)c2cnoc2n1
InChIInChI=1S/C13H18N4O/c1-2-4-10(5-3-1)6-7-14-12-11-8-17-18-13(11)16-9-15-12/h8-10H,1-7H2,(H,14,15,16)
InChIKeyVTKCUJDENVMKFA-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.00
Rot. Bonds4

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

N-(2-cyclohexylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 100658073) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID100658073
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(2-cyclohexylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESc1nc(NCCC2CCCCC2)c2cnoc2n1
InChIInChI=1S/C13H18N4O/c1-2-4-10(5-3-1)6-7-14-12-11-8-17-18-13(11)16-9-15-12/h8-10H,1-7H2,(H,14,15,16)
InChIKeyVTKCUJDENVMKFA-UHFFFAOYSA-N
XLogP3.00
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-cyclohexylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 100658073) is N-(2-cyclohexylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is c1nc(NCCC2CCCCC2)c2cnoc2n1.
What is the InChIKey of N-(2-cyclohexylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is VTKCUJDENVMKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-4-10(5-3-1)6-7-14-12-11-8-17-18-13(11)16-9-15-12/h8-10H,1-7H2,(H,14,15,16).
What are the key properties of N-(2-cyclohexylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-(2-cyclohexylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 246.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 100658073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).