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

C11H16N6O2 — CID 64546568

IUPAC1,3-dimethyl-5-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCCc2ncn[nH]2)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N6O2/c1-16-6-8(10(18)17(2)11(16)19)5-12-4-3-9-13-7-14-15-9/h6-7,12H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyQRVKFPJHNSLCKM-UHFFFAOYSA-N
MW264.29 g/mol
LogP-1.47
Rot. Bonds5

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

1,3-dimethyl-5-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione (PubChem CID 64546568) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione
PubChem CID64546568
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name1,3-dimethyl-5-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCCc2ncn[nH]2)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N6O2/c1-16-6-8(10(18)17(2)11(16)19)5-12-4-3-9-13-7-14-15-9/h6-7,12H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyQRVKFPJHNSLCKM-UHFFFAOYSA-N
XLogP-1.47
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione (CID 64546568) is 1,3-dimethyl-5-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione is Cn1cc(CNCCc2ncn[nH]2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The InChIKey is QRVKFPJHNSLCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-16-6-8(10(18)17(2)11(16)19)5-12-4-3-9-13-7-14-15-9/h6-7,12H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 1,3-dimethyl-5-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione has a molecular weight of 264.29 g/mol, XLogP of -1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 64546568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).