6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine

C18H17N7S — CID 133295366

IUPAC6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine
SMILESCCc1cc(NCc2nc(-c3cccs3)n[nH]2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H17N7S/c1-2-12-10-15(22-17(21-12)13-6-3-4-8-19-13)20-11-16-23-18(25-24-16)14-7-5-9-26-14/h3-10H,2,11H2,1H3,(H,20,21,22)(H,23,24,25)
InChIKeyAAKSFXSRSJFEKJ-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.56
Rot. Bonds6

About 6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine

6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 133295366) has the molecular formula C18H17N7S and a molecular weight of 363.45 g/mol. Its IUPAC name is 6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID133295366
Molecular FormulaC18H17N7S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine
SMILESCCc1cc(NCc2nc(-c3cccs3)n[nH]2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H17N7S/c1-2-12-10-15(22-17(21-12)13-6-3-4-8-19-13)20-11-16-23-18(25-24-16)14-7-5-9-26-14/h3-10H,2,11H2,1H3,(H,20,21,22)(H,23,24,25)
InChIKeyAAKSFXSRSJFEKJ-UHFFFAOYSA-N
XLogP3.56
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 62732644
6-ethyl-2-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336468
6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62191102
7-ethyl-2-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133293678
6-ethyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133291049
N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine
CID 62732833
5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487610
6-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133294382
6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-carbonitrile
CID 133293696
N,6-dipropyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62192681
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 99805928
6-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133459201

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine (CID 133295366) is 6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine is CCc1cc(NCc2nc(-c3cccs3)n[nH]2)nc(-c2ccccn2)n1.
What is the InChIKey of 6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is AAKSFXSRSJFEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7S/c1-2-12-10-15(22-17(21-12)13-6-3-4-8-19-13)20-11-16-23-18(25-24-16)14-7-5-9-26-14/h3-10H,2,11H2,1H3,(H,20,21,22)(H,23,24,25).
What are the key properties of 6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine?
6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 363.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 133295366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).