5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine

C15H17N7 — CID 133449348

IUPAC5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(-c2ccncc2)nc(NCCn2ccnn2)c1C
InChIInChI=1S/C15H17N7/c1-11-12(2)19-15(13-3-5-16-6-4-13)20-14(11)17-7-9-22-10-8-18-21-22/h3-6,8,10H,7,9H2,1-2H3,(H,17,19,20)
InChIKeyFVQRGKLPYWVJAM-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.86
Rot. Bonds5

About 5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine

5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine (PubChem CID 133449348) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine
PubChem CID133449348
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(-c2ccncc2)nc(NCCn2ccnn2)c1C
InChIInChI=1S/C15H17N7/c1-11-12(2)19-15(13-3-5-16-6-4-13)20-14(11)17-7-9-22-10-8-18-21-22/h3-6,8,10H,7,9H2,1-2H3,(H,17,19,20)
InChIKeyFVQRGKLPYWVJAM-UHFFFAOYSA-N
XLogP1.86
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine
CID 133449281
5,6-dimethyl-N-(4-methylsulfanylbutyl)-2-pyridin-4-ylpyrimidin-4-amine
CID 133316495
4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol
CID 133349530
2-chloro-6-methyl-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-4,5-diamine
CID 114043960
5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine
CID 56768152
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 56789843
N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 62192547
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133399802
5-iodo-6-methyl-N-propyl-2-pyridin-4-ylpyrimidin-4-amine
CID 66307120
5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133344239
5,6-dimethyl-2-pyridin-4-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine
CID 133415480
N-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133460026

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine (CID 133449348) is 5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine is Cc1nc(-c2ccncc2)nc(NCCn2ccnn2)c1C.
What is the InChIKey of 5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine?
The InChIKey is FVQRGKLPYWVJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c1-11-12(2)19-15(13-3-5-16-6-4-13)20-14(11)17-7-9-22-10-8-18-21-22/h3-6,8,10H,7,9H2,1-2H3,(H,17,19,20).
What are the key properties of 5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine?
5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine has a molecular weight of 295.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 133449348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).