N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide

C15H20N6O2 — CID 72885161

IUPACN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCc2noc(C3CCCC3)n2)cn1
InChIInChI=1S/C15H20N6O2/c1-2-16-15-18-7-11(8-19-15)13(22)17-9-12-20-14(23-21-12)10-5-3-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,17,22)(H,16,18,19)
InChIKeyUKAVMLCONKKPPT-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.88
Rot. Bonds6

About N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide (PubChem CID 72885161) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide
PubChem CID72885161
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCc2noc(C3CCCC3)n2)cn1
InChIInChI=1S/C15H20N6O2/c1-2-16-15-18-7-11(8-19-15)13(22)17-9-12-20-14(23-21-12)10-5-3-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,17,22)(H,16,18,19)
InChIKeyUKAVMLCONKKPPT-UHFFFAOYSA-N
XLogP1.88
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide (CID 72885161) is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NCc2noc(C3CCCC3)n2)cn1.
What is the InChIKey of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide?
The InChIKey is UKAVMLCONKKPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-2-16-15-18-7-11(8-19-15)13(22)17-9-12-20-14(23-21-12)10-5-3-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,17,22)(H,16,18,19).
What are the key properties of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide?
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 72885161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).