1,3-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione

C12H18N6O2 — CID 43702843

IUPAC1,3-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCC(NCc1cn(C)c(=O)n(C)c1=O)c1nncn1C
InChIInChI=1S/C12H18N6O2/c1-8(10-15-14-7-17(10)3)13-5-9-6-16(2)12(20)18(4)11(9)19/h6-8,13H,5H2,1-4H3
InChIKeyHPNBWOBUYZMSLE-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.94
Rot. Bonds4

About 1,3-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione (PubChem CID 43702843) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione
PubChem CID43702843
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name1,3-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCC(NCc1cn(C)c(=O)n(C)c1=O)c1nncn1C
InChIInChI=1S/C12H18N6O2/c1-8(10-15-14-7-17(10)3)13-5-9-6-16(2)12(20)18(4)11(9)19/h6-8,13H,5H2,1-4H3
InChIKeyHPNBWOBUYZMSLE-UHFFFAOYSA-N
XLogP-0.94
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

2-hydroxy-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylnicotinamide
CID 70728441
1-[(1,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-pyrimidine-2,4-dione
CID 484687
1-[(1-Ethyl-5-methyl-1H-1,2,4-triazol-3-yl)methyl]thymine
CID 484688
2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide
CID 56717311
N-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide
CID 72893999
1-[(1-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-5-methylpyrimidine-2,4(1H,3H)-dione
CID 72841936
5-hydroxy-N-[1-(4-propyl-4H-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide
CID 91784015
5-hydroxy-N-[1-(1-methyl-1H-1,2,4-triazol-5-yl)propyl]pyrazine-2-carboxamide
CID 91790472
3-methyl-2-oxo-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1H-imidazole-5-carboxamide
CID 138034566
1-Propan-2-yl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 136569757
2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 54883095
1,3-dimethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 54884969

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione (CID 43702843) is 1,3-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione is CC(NCc1cn(C)c(=O)n(C)c1=O)c1nncn1C.
What is the InChIKey of 1,3-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The InChIKey is HPNBWOBUYZMSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-8(10-15-14-7-17(10)3)13-5-9-6-16(2)12(20)18(4)11(9)19/h6-8,13H,5H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[1-(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 -0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 43702843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).