N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine

C16H23N5O — CID 50983573

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(C(C)C)cc(N(C)CCc2noc(C3CC3)n2)n1
InChIInChI=1S/C16H23N5O/c1-10(2)13-9-15(18-11(3)17-13)21(4)8-7-14-19-16(22-20-14)12-5-6-12/h9-10,12H,5-8H2,1-4H3
InChIKeyUUFLUDXIHVHCPR-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.85
Rot. Bonds6

About N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 50983573) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID50983573
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(C(C)C)cc(N(C)CCc2noc(C3CC3)n2)n1
InChIInChI=1S/C16H23N5O/c1-10(2)13-9-15(18-11(3)17-13)21(4)8-7-14-19-16(22-20-14)12-5-6-12/h9-10,12H,5-8H2,1-4H3
InChIKeyUUFLUDXIHVHCPR-UHFFFAOYSA-N
XLogP2.85
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine with MolForge

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Related Compounds

N'-methyl-N'-(2-methyl-6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 83834295
N,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine
CID 50950043
N,2-dimethyl-N-(2-morpholin-4-ylpropyl)-6-propan-2-ylpyrimidin-4-amine
CID 50958517
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(dimethylsulfamoyl)-N-methylethanamine
CID 136531431
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 167874709
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide
CID 118783486
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687751
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid
CID 62638502
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 118781070
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methylethanamine;hydrochloride
CID 53433662
5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole
CID 136548145
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide
CID 50954397

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine (CID 50983573) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine is Cc1nc(C(C)C)cc(N(C)CCc2noc(C3CC3)n2)n1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is UUFLUDXIHVHCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-10(2)13-9-15(18-11(3)17-13)21(4)8-7-14-19-16(22-20-14)12-5-6-12/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 50983573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).