3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine

C18H24N6O2 — CID 137490685

IUPAC3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCC(COC)n1nnc2c(Nc3ccc(OC)cc3C)nc(C)nc21
InChIInChI=1S/C18H24N6O2/c1-6-13(10-25-4)24-18-16(22-23-24)17(19-12(3)20-18)21-15-8-7-14(26-5)9-11(15)2/h7-9,13H,6,10H2,1-5H3,(H,19,20,21)
InChIKeyVPIHFPDTAMKISC-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.19
Rot. Bonds7

About 3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine

3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 137490685) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID137490685
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCC(COC)n1nnc2c(Nc3ccc(OC)cc3C)nc(C)nc21
InChIInChI=1S/C18H24N6O2/c1-6-13(10-25-4)24-18-16(22-23-24)17(19-12(3)20-18)21-15-8-7-14(26-5)9-11(15)2/h7-9,13H,6,10H2,1-5H3,(H,19,20,21)
InChIKeyVPIHFPDTAMKISC-UHFFFAOYSA-N
XLogP3.19
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-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

3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 12051964
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80804662
3-heptan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 12051965
4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80825346
4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine
CID 18629214
6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine
CID 63272259
N-(2,4-dimethoxyphenyl)-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 52998677
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80825171
1-(4-methoxy-2-methylphenyl)-6-methyl-N-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 45484981
4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline
CID 116501292
6-methoxy-2-N-(4-methoxy-2-methylphenyl)pyridine-2,3-diamine
CID 115320740
6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine
CID 80805047

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine (CID 137490685) is 3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine is CCC(COC)n1nnc2c(Nc3ccc(OC)cc3C)nc(C)nc21.
What is the InChIKey of 3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is VPIHFPDTAMKISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-6-13(10-25-4)24-18-16(22-23-24)17(19-12(3)20-18)21-15-8-7-14(26-5)9-11(15)2/h7-9,13H,6,10H2,1-5H3,(H,19,20,21).
What are the key properties of 3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine?
3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 356.43 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 137490685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).