N,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine

C11H16N6O — CID 106598749

IUPACN,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ncn(C)n2)c1CC
InChIInChI=1S/C11H16N6O/c1-4-8-9(12-5-2)13-6-14-10(8)18-11-15-7-17(3)16-11/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyIPAXDPJUKUXCQF-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.39
Rot. Bonds5

About N,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine

N,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine (PubChem CID 106598749) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine
PubChem CID106598749
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ncn(C)n2)c1CC
InChIInChI=1S/C11H16N6O/c1-4-8-9(12-5-2)13-6-14-10(8)18-11-15-7-17(3)16-11/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyIPAXDPJUKUXCQF-UHFFFAOYSA-N
XLogP1.39
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,5-diethyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine
CID 80865608
6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80875890
6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyrimidin-4-amine
CID 106598671
6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869748
N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80878962
N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80879453
6-(5-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine
CID 80877370
6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869041
N,5-diethyl-6-heptoxypyrimidin-4-amine
CID 80862239
6-[(E)-but-2-enoxy]-N,5-diethylpyrimidin-4-amine
CID 80872166
6-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-propylpyrimidin-4-amine
CID 81346872
5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine
CID 106597704

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine?
The IUPAC name of N,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine (CID 106598749) is N,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine.
What is the SMILES notation for N,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine?
The canonical SMILES for N,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine is CCNc1ncnc(Oc2ncn(C)n2)c1CC.
What is the InChIKey of N,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine?
The InChIKey is IPAXDPJUKUXCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-4-8-9(12-5-2)13-6-14-10(8)18-11-15-7-17(3)16-11/h6-7H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of N,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine?
N,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine has a molecular weight of 248.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 106598749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).