4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine

C13H18N6O — CID 72860419

IUPAC4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCCc2noc(C3CCC3)n2)n1
InChIInChI=1S/C13H18N6O/c1-8-16-10(14)7-12(17-8)15-6-5-11-18-13(20-19-11)9-3-2-4-9/h7,9H,2-6H2,1H3,(H3,14,15,16,17)
InChIKeyMNDSFULHOBAWAU-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.67
Rot. Bonds5

About 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine

4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 72860419) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine
PubChem CID72860419
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCCc2noc(C3CCC3)n2)n1
InChIInChI=1S/C13H18N6O/c1-8-16-10(14)7-12(17-8)15-6-5-11-18-13(20-19-11)9-3-2-4-9/h7,9H,2-6H2,1H3,(H3,14,15,16,17)
InChIKeyMNDSFULHOBAWAU-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-butyl-6-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-2,4-diamine
CID 100671048
4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106424162
6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106424290
N~2~-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-5-fluoro-N~4~,N~4~-dimethylpyrimidine-2,4-diamine
CID 137338877
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 50961935
4-N-methyl-2-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]pyrimidine-4,6-diamine
CID 91186895
2-({2-Amino-6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl}amino)ethanol
CID 50959441
N~2~-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N~4~-methylpyrimidine-2,4-diamine
CID 50962547
N~6~-cyclopropyl-N~4~-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N~4~-methylpyrimidine-2,4,6-triamine
CID 50973908
N-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-pyrrolidin-1-ylpyrimidine-4,6-diamine
CID 50979222
N,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 55201271
N-ethyl-3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348560

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine (CID 72860419) is 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine is Cc1nc(N)cc(NCCc2noc(C3CCC3)n2)n1.
What is the InChIKey of 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is MNDSFULHOBAWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-8-16-10(14)7-12(17-8)15-6-5-11-18-13(20-19-11)9-3-2-4-9/h7,9H,2-6H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine?
4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 274.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 72860419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).