6-(2-aminoethyl)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrimidin-4-amine

C15H22N6O — CID 56714936

IUPAC6-(2-aminoethyl)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(CCN)cc(NCc2noc(C3CCCC3)n2)n1
InChIInChI=1S/C15H22N6O/c1-10-18-12(6-7-16)8-13(19-10)17-9-14-20-15(22-21-14)11-4-2-3-5-11/h8,11H,2-7,9,16H2,1H3,(H,17,18,19)
InChIKeyQOKCCTURISWCCD-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.94
Rot. Bonds6

About 6-(2-aminoethyl)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrimidin-4-amine

6-(2-aminoethyl)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 56714936) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-(2-aminoethyl)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminoethyl)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrimidin-4-amine
PubChem CID56714936
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name6-(2-aminoethyl)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(CCN)cc(NCc2noc(C3CCCC3)n2)n1
InChIInChI=1S/C15H22N6O/c1-10-18-12(6-7-16)8-13(19-10)17-9-14-20-15(22-21-14)11-4-2-3-5-11/h8,11H,2-7,9,16H2,1H3,(H,17,18,19)
InChIKeyQOKCCTURISWCCD-UHFFFAOYSA-N
XLogP1.94
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-aminoethyl)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrimidin-4-amine (CID 56714936) is 6-(2-aminoethyl)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminoethyl)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-aminoethyl)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrimidin-4-amine is Cc1nc(CCN)cc(NCc2noc(C3CCCC3)n2)n1.
What is the InChIKey of 6-(2-aminoethyl)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is QOKCCTURISWCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10-18-12(6-7-16)8-13(19-10)17-9-14-20-15(22-21-14)11-4-2-3-5-11/h8,11H,2-7,9,16H2,1H3,(H,17,18,19).
What are the key properties of 6-(2-aminoethyl)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrimidin-4-amine?
6-(2-aminoethyl)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 302.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 56714936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).