3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine

C20H28N6 — CID 12051964

IUPAC3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCCCC(CC)n1nnc2c(Nc3c(C)cc(C)cc3C)nc(C)nc21
InChIInChI=1S/C20H28N6/c1-7-9-16(8-2)26-20-18(24-25-26)19(21-15(6)22-20)23-17-13(4)10-12(3)11-14(17)5/h10-11,16H,7-9H2,1-6H3,(H,21,22,23)
InChIKeyQDUYDNWEBVVOCC-UHFFFAOYSA-N
MW352.49 g/mol
LogP4.95
Rot. Bonds6

About 3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine

3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 12051964) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID12051964
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCCCC(CC)n1nnc2c(Nc3c(C)cc(C)cc3C)nc(C)nc21
InChIInChI=1S/C20H28N6/c1-7-9-16(8-2)26-20-18(24-25-26)19(21-15(6)22-20)23-17-13(4)10-12(3)11-14(17)5/h10-11,16H,7-9H2,1-6H3,(H,21,22,23)
InChIKeyQDUYDNWEBVVOCC-UHFFFAOYSA-N
XLogP4.95
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-heptan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 12051965
N-(2-bromo-4-propan-2-ylphenyl)-3-heptan-3-yl-5-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 12051943
3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 137490685
N-heptan-4-yl-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 10808915
3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 7584273
6-methyl-1-pentan-3-yl-N-(2,4,6-trimethylphenyl)pyrrolo[3,2-c]pyridin-4-amine
CID 22253394
6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 139568782
7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 18386617
1-[3-bromo-4-[[5-methyl-3-(3-methylhexyl)triazolo[4,5-d]pyrimidin-7-yl]amino]phenyl]ethanone
CID 18427752
N-(2-bromo-4,6-dimethoxyphenyl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-amine
CID 12051985
4-N,4-N-diethyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112875669
3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine
CID 142638159

Frequently Asked Questions

What is the IUPAC name of 3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine (CID 12051964) is 3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine is CCCC(CC)n1nnc2c(Nc3c(C)cc(C)cc3C)nc(C)nc21.
What is the InChIKey of 3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is QDUYDNWEBVVOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-7-9-16(8-2)26-20-18(24-25-26)19(21-15(6)22-20)23-17-13(4)10-12(3)11-14(17)5/h10-11,16H,7-9H2,1-6H3,(H,21,22,23).
What are the key properties of 3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 352.49 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 12051964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).