6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine

C15H17N7 — CID 133449281

IUPAC6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine
SMILESCCc1cc(NCCn2ccnn2)nc(-c2ccncc2)n1
InChIInChI=1S/C15H17N7/c1-2-13-11-14(17-7-9-22-10-8-18-21-22)20-15(19-13)12-3-5-16-6-4-12/h3-6,8,10-11H,2,7,9H2,1H3,(H,17,19,20)
InChIKeyXFDQLAVTSQMCLV-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.80
Rot. Bonds6

About 6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine

6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine (PubChem CID 133449281) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine
PubChem CID133449281
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine
SMILESCCc1cc(NCCn2ccnn2)nc(-c2ccncc2)n1
InChIInChI=1S/C15H17N7/c1-2-13-11-14(17-7-9-22-10-8-18-21-22)20-15(19-13)12-3-5-16-6-4-12/h3-6,8,10-11H,2,7,9H2,1H3,(H,17,19,20)
InChIKeyXFDQLAVTSQMCLV-UHFFFAOYSA-N
XLogP1.80
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine
CID 133449348
N-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133294320
N-[3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 56804311
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
N-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 166363517
6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133294768
6-ethyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62190215
6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133326062
[3-[[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol
CID 133399032
6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine
CID 114053221
2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid
CID 113412914
3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91769346

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine (CID 133449281) is 6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine is CCc1cc(NCCn2ccnn2)nc(-c2ccncc2)n1.
What is the InChIKey of 6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine?
The InChIKey is XFDQLAVTSQMCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c1-2-13-11-14(17-7-9-22-10-8-18-21-22)20-15(19-13)12-3-5-16-6-4-12/h3-6,8,10-11H,2,7,9H2,1H3,(H,17,19,20).
What are the key properties of 6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine?
6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine has a molecular weight of 295.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 133449281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).