1-(4,6-dimethoxypyrimidin-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

C11H16N6O2 — CID 54895853

IUPAC1-(4,6-dimethoxypyrimidin-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCOc1ncnc(OC)c1CNCc1nncn1C
InChIInChI=1S/C11H16N6O2/c1-17-7-15-16-9(17)5-12-4-8-10(18-2)13-6-14-11(8)19-3/h6-7,12H,4-5H2,1-3H3
InChIKeyVTHWBJTYXLRKAX-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.09
Rot. Bonds6

About 1-(4,6-dimethoxypyrimidin-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

1-(4,6-dimethoxypyrimidin-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 54895853) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID54895853
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name1-(4,6-dimethoxypyrimidin-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCOc1ncnc(OC)c1CNCc1nncn1C
InChIInChI=1S/C11H16N6O2/c1-17-7-15-16-9(17)5-12-4-8-10(18-2)13-6-14-11(8)19-3/h6-7,12H,4-5H2,1-3H3
InChIKeyVTHWBJTYXLRKAX-UHFFFAOYSA-N
XLogP-0.09
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(4,6-dimethoxypyrimidin-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine with MolForge

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Related Compounds

1-(3,4-dimethoxy-2-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103172419
2,2-dimethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 63697959
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895038
1-(5-methylpyrazin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 81325855
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]but-2-yn-1-amine
CID 62310554
2-methylidene-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 66044024
(4-methyl-1,2,4-triazol-3-yl)methylhydrazine
CID 130979305
2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62117507
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895919
1-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 81134991
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54893446
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 60924156

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 54895853) is 1-(4,6-dimethoxypyrimidin-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is COc1ncnc(OC)c1CNCc1nncn1C.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is VTHWBJTYXLRKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-17-7-15-16-9(17)5-12-4-8-10(18-2)13-6-14-11(8)19-3/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 1-(4,6-dimethoxypyrimidin-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(4,6-dimethoxypyrimidin-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 264.29 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 54895853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).