N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfanylpyrimidin-4-amine

C13H17N5OS — CID 162649028

IUPACN-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1ncc(-c2nc(C)no2)c(NC2CCCC2)n1
InChIInChI=1S/C13H17N5OS/c1-8-15-12(19-18-8)10-7-14-13(20-2)17-11(10)16-9-5-3-4-6-9/h7,9H,3-6H2,1-2H3,(H,14,16,17)
InChIKeyLPHUDRGSBZPPHA-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.91
Rot. Bonds4

About N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfanylpyrimidin-4-amine

N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 162649028) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID162649028
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1ncc(-c2nc(C)no2)c(NC2CCCC2)n1
InChIInChI=1S/C13H17N5OS/c1-8-15-12(19-18-8)10-7-14-13(20-2)17-11(10)16-9-5-3-4-6-9/h7,9H,3-6H2,1-2H3,(H,14,16,17)
InChIKeyLPHUDRGSBZPPHA-UHFFFAOYSA-N
XLogP2.91
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 162656130
N-Ethyl-5-{3-[(1-methylpiperidin-4-YL)methyl]-1,2,4-oxadiazol-5-YL}pyrimidin-2-amine
CID 56717229
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 91776234
N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 91893645
2-Methyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
CID 136572225
Ethyl 4-{[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino}piperidine-1-carboxylate
CID 92064015
N-isopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 121016678
5-(3-Methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 151206615
5-(3-Ethyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 153997263
4-(Cyclopentylamino)-N-methoxy-N-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
CID 155572408
3-Methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 162383894
3-Methyl-5-(2-methylsulfonylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 162383917

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfanylpyrimidin-4-amine (CID 162649028) is N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfanylpyrimidin-4-amine is CSc1ncc(-c2nc(C)no2)c(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is LPHUDRGSBZPPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-8-15-12(19-18-8)10-7-14-13(20-2)17-11(10)16-9-5-3-4-6-9/h7,9H,3-6H2,1-2H3,(H,14,16,17).
What are the key properties of N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfanylpyrimidin-4-amine?
N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 291.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 162649028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).