4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine

C13H14N6 — CID 135106778

IUPAC4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2nnc3ccccn23)n1
InChIInChI=1S/C13H14N6/c1-9-7-10(2)16-13(15-9)14-8-12-18-17-11-5-3-4-6-19(11)12/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyUWZZUHVUMAHTED-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.75
Rot. Bonds3

About 4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine

4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine (PubChem CID 135106778) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine
PubChem CID135106778
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2nnc3ccccn23)n1
InChIInChI=1S/C13H14N6/c1-9-7-10(2)16-13(15-9)14-8-12-18-17-11-5-3-4-6-19(11)12/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyUWZZUHVUMAHTED-UHFFFAOYSA-N
XLogP1.75
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,2,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-4-amine
CID 126805477
2-(4-methylphenyl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 40709598
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
CID 62472572
2,2-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-ol
CID 81414347
2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 86978007
2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine
CID 28711089
(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine
CID 51887428
3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72925691
1-(3-methylthiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711077
3-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
CID 28711709
1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine
CID 72940438
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111014484

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine (CID 135106778) is 4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine is Cc1cc(C)nc(NCc2nnc3ccccn23)n1.
What is the InChIKey of 4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is UWZZUHVUMAHTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-9-7-10(2)16-13(15-9)14-8-12-18-17-11-5-3-4-6-19(11)12/h3-7H,8H2,1-2H3,(H,14,15,16).
What are the key properties of 4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine?
4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 254.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 135106778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).