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

C15H21N5O — CID 50967209

IUPACN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cnc(C)nc1NCc1noc(C2CCCC2)n1
InChIInChI=1S/C15H21N5O/c1-3-11-8-16-10(2)18-14(11)17-9-13-19-15(21-20-13)12-6-4-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyTWULZBKVBXBUMO-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.00
Rot. Bonds5

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

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethyl-2-methylpyrimidin-4-amine (PubChem CID 50967209) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethyl-2-methylpyrimidin-4-amine
PubChem CID50967209
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cnc(C)nc1NCc1noc(C2CCCC2)n1
InChIInChI=1S/C15H21N5O/c1-3-11-8-16-10(2)18-14(11)17-9-13-19-15(21-20-13)12-6-4-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyTWULZBKVBXBUMO-UHFFFAOYSA-N
XLogP3.00
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethyl-2-methylpyrimidin-4-amine (CID 50967209) is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethyl-2-methylpyrimidin-4-amine is CCc1cnc(C)nc1NCc1noc(C2CCCC2)n1.
What is the InChIKey of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is TWULZBKVBXBUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-11-8-16-10(2)18-14(11)17-9-13-19-15(21-20-13)12-6-4-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethyl-2-methylpyrimidin-4-amine?
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 287.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 50967209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).