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

C12H18N6O2 — CID 63332256

IUPAC1,3-dimethyl-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCn1cnnc1CCNCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H18N6O2/c1-16-8-14-15-10(16)4-5-13-7-9-6-11(19)18(3)12(20)17(9)2/h6,8,13H,4-5,7H2,1-3H3
InChIKeyPJFCCFQDUMGHFZ-UHFFFAOYSA-N
MW278.32 g/mol
LogP-1.46
Rot. Bonds5

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

1,3-dimethyl-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione (PubChem CID 63332256) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione
PubChem CID63332256
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name1,3-dimethyl-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCn1cnnc1CCNCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H18N6O2/c1-16-8-14-15-10(16)4-5-13-7-9-6-11(19)18(3)12(20)17(9)2/h6,8,13H,4-5,7H2,1-3H3
InChIKeyPJFCCFQDUMGHFZ-UHFFFAOYSA-N
XLogP-1.46
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione (CID 63332256) is 1,3-dimethyl-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione is Cn1cnnc1CCNCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The InChIKey is PJFCCFQDUMGHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-16-8-14-15-10(16)4-5-13-7-9-6-11(19)18(3)12(20)17(9)2/h6,8,13H,4-5,7H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione has a molecular weight of 278.32 g/mol, XLogP of -1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63332256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).