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

C11H16N6O2 — CID 55037876

IUPAC1,3-dimethyl-6-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrimidine-2,4-dione
SMILESCn1cnnc1CNCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H16N6O2/c1-15-7-13-14-9(15)6-12-5-8-4-10(18)17(3)11(19)16(8)2/h4,7,12H,5-6H2,1-3H3
InChIKeyCXEZLGDTBSVWSU-UHFFFAOYSA-N
MW264.29 g/mol
LogP-1.50
Rot. Bonds4

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

1,3-dimethyl-6-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrimidine-2,4-dione (PubChem CID 55037876) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrimidine-2,4-dione
PubChem CID55037876
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name1,3-dimethyl-6-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrimidine-2,4-dione
SMILESCn1cnnc1CNCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H16N6O2/c1-15-7-13-14-9(15)6-12-5-8-4-10(18)17(3)11(19)16(8)2/h4,7,12H,5-6H2,1-3H3
InChIKeyCXEZLGDTBSVWSU-UHFFFAOYSA-N
XLogP-1.50
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 ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrimidine-2,4-dione (CID 55037876) is 1,3-dimethyl-6-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrimidine-2,4-dione is Cn1cnnc1CNCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-6-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrimidine-2,4-dione?
The InChIKey is CXEZLGDTBSVWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-15-7-13-14-9(15)6-12-5-8-4-10(18)17(3)11(19)16(8)2/h4,7,12H,5-6H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrimidine-2,4-dione has a molecular weight of 264.29 g/mol, XLogP of -1.50, 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-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 55037876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).