6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine

C13H20N6 — CID 80992528

IUPAC6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(-n2nc(C)nc2C)c1C
InChIInChI=1S/C13H20N6/c1-6-11-16-12(14-7-2)8(3)13(17-11)19-10(5)15-9(4)18-19/h6-7H2,1-5H3,(H,14,16,17)
InChIKeyMYAJTUBJNSSEHR-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.98
Rot. Bonds4

About 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine

6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine (PubChem CID 80992528) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
PubChem CID80992528
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(-n2nc(C)nc2C)c1C
InChIInChI=1S/C13H20N6/c1-6-11-16-12(14-7-2)8(3)13(17-11)19-10(5)15-9(4)18-19/h6-7H2,1-5H3,(H,14,16,17)
InChIKeyMYAJTUBJNSSEHR-UHFFFAOYSA-N
XLogP1.98
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80992622
N-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
CID 80992607
2-ethyl-5-methyl-N-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
CID 80992240
6-(2,6-dimethylmorpholin-4-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80982249
6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80853957
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
6-(2,4-dimethylpiperidin-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80982600
8-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80984600
N,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 80985082
N,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80984912
N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidin-4-amine
CID 80992338

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine (CID 80992528) is 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine is CCNc1nc(CC)nc(-n2nc(C)nc2C)c1C.
What is the InChIKey of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine?
The InChIKey is MYAJTUBJNSSEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-6-11-16-12(14-7-2)8(3)13(17-11)19-10(5)15-9(4)18-19/h6-7H2,1-5H3,(H,14,16,17).
What are the key properties of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine?
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine has a molecular weight of 260.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80992528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).