2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine

C13H18N6O — CID 106424259

IUPAC2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCc1nc(CCNc2nc(C3CC3)nc(N)c2C)no1
InChIInChI=1S/C13H18N6O/c1-7-11(14)17-13(9-3-4-9)18-12(7)15-6-5-10-16-8(2)20-19-10/h9H,3-6H2,1-2H3,(H3,14,15,17,18)
InChIKeyQZEGELTWVMBXNI-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.59
Rot. Bonds5

About 2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine

2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 106424259) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID106424259
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCc1nc(CCNc2nc(C3CC3)nc(N)c2C)no1
InChIInChI=1S/C13H18N6O/c1-7-11(14)17-13(9-3-4-9)18-12(7)15-6-5-10-16-8(2)20-19-10/h9H,3-6H2,1-2H3,(H3,14,15,17,18)
InChIKeyQZEGELTWVMBXNI-UHFFFAOYSA-N
XLogP1.59
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424191
2-cyclopropyl-5-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80984275
N-[2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80993649
2-cyclopropyl-5-methyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80984520
2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine
CID 80981871
3,5-difluoro-6-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,6-diamine
CID 106424233
6-chloro-2-cyclopropyl-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106405659
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424292
2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 102701899
2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80985077
2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106413986

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine (CID 106424259) is 2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine is Cc1nc(CCNc2nc(C3CC3)nc(N)c2C)no1.
What is the InChIKey of 2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is QZEGELTWVMBXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-7-11(14)17-13(9-3-4-9)18-12(7)15-6-5-10-16-8(2)20-19-10/h9H,3-6H2,1-2H3,(H3,14,15,17,18).
What are the key properties of 2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 274.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106424259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).