1,3-dimethyl-6-[[4-(methylaminomethyl)triazol-1-yl]methyl]pyrimidine-2,4-dione

C11H16N6O2 — CID 66191724

IUPAC1,3-dimethyl-6-[[4-(methylaminomethyl)triazol-1-yl]methyl]pyrimidine-2,4-dione
SMILESCNCc1cn(Cc2cc(=O)n(C)c(=O)n2C)nn1
InChIInChI=1S/C11H16N6O2/c1-12-5-8-6-17(14-13-8)7-9-4-10(18)16(3)11(19)15(9)2/h4,6,12H,5,7H2,1-3H3
InChIKeyJFFRGBKOJVKTHM-UHFFFAOYSA-N
MW264.29 g/mol
LogP-1.56
Rot. Bonds4

About 1,3-dimethyl-6-[[4-(methylaminomethyl)triazol-1-yl]methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[4-(methylaminomethyl)triazol-1-yl]methyl]pyrimidine-2,4-dione (PubChem CID 66191724) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[4-(methylaminomethyl)triazol-1-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[4-(methylaminomethyl)triazol-1-yl]methyl]pyrimidine-2,4-dione
PubChem CID66191724
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name1,3-dimethyl-6-[[4-(methylaminomethyl)triazol-1-yl]methyl]pyrimidine-2,4-dione
SMILESCNCc1cn(Cc2cc(=O)n(C)c(=O)n2C)nn1
InChIInChI=1S/C11H16N6O2/c1-12-5-8-6-17(14-13-8)7-9-4-10(18)16(3)11(19)15(9)2/h4,6,12H,5,7H2,1-3H3
InChIKeyJFFRGBKOJVKTHM-UHFFFAOYSA-N
XLogP-1.56
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62451375
N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine
CID 66214042
N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine
CID 66216457
N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 62438466
7-[4-(methylaminomethyl)triazol-1-yl]heptan-2-one
CID 142439684
N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine
CID 115519644
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine
CID 79859325
3-[4-(methylaminomethyl)triazol-1-yl]propylurea
CID 156794759
1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62447011
7-bromo-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]chromen-2-one
CID 66214446
N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 62450708
2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol
CID 66215241

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[4-(methylaminomethyl)triazol-1-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[4-(methylaminomethyl)triazol-1-yl]methyl]pyrimidine-2,4-dione (CID 66191724) is 1,3-dimethyl-6-[[4-(methylaminomethyl)triazol-1-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[4-(methylaminomethyl)triazol-1-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[4-(methylaminomethyl)triazol-1-yl]methyl]pyrimidine-2,4-dione is CNCc1cn(Cc2cc(=O)n(C)c(=O)n2C)nn1.
What is the InChIKey of 1,3-dimethyl-6-[[4-(methylaminomethyl)triazol-1-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is JFFRGBKOJVKTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-12-5-8-6-17(14-13-8)7-9-4-10(18)16(3)11(19)15(9)2/h4,6,12H,5,7H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[[4-(methylaminomethyl)triazol-1-yl]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[4-(methylaminomethyl)triazol-1-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 264.29 g/mol, XLogP of -1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[4-(methylaminomethyl)triazol-1-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66191724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).