4-(dimethylamino)-1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6-methoxy-1,3,5-triazin-2-one

C12H18N8O3 — CID 629464

IUPAC4-(dimethylamino)-1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6-methoxy-1,3,5-triazin-2-one
SMILESCOc1nc(N(C)C)nc(-n2c(OC)nc(N(C)C)nc2=O)n1
InChIInChI=1S/C12H18N8O3/c1-18(2)7-13-9(15-10(14-7)22-5)20-11(21)16-8(19(3)4)17-12(20)23-6/h1-6H3
InChIKeyGHQAVTSDTIBBQX-UHFFFAOYSA-N
MW322.33 g/mol
LogP-1.04
Rot. Bonds5

About 4-(dimethylamino)-1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6-methoxy-1,3,5-triazin-2-one

4-(dimethylamino)-1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6-methoxy-1,3,5-triazin-2-one (PubChem CID 629464) has the molecular formula C12H18N8O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6-methoxy-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6-methoxy-1,3,5-triazin-2-one
PubChem CID629464
Molecular FormulaC12H18N8O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC Name4-(dimethylamino)-1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6-methoxy-1,3,5-triazin-2-one
SMILESCOc1nc(N(C)C)nc(-n2c(OC)nc(N(C)C)nc2=O)n1
InChIInChI=1S/C12H18N8O3/c1-18(2)7-13-9(15-10(14-7)22-5)20-11(21)16-8(19(3)4)17-12(20)23-6/h1-6H3
InChIKeyGHQAVTSDTIBBQX-UHFFFAOYSA-N
XLogP-1.04
TPSA111.39 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.33
LogP ≤ 5-1.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6-methoxy-1,3,5-triazin-2-one?
The IUPAC name of 4-(dimethylamino)-1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6-methoxy-1,3,5-triazin-2-one (CID 629464) is 4-(dimethylamino)-1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6-methoxy-1,3,5-triazin-2-one.
What is the SMILES notation for 4-(dimethylamino)-1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6-methoxy-1,3,5-triazin-2-one?
The canonical SMILES for 4-(dimethylamino)-1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6-methoxy-1,3,5-triazin-2-one is COc1nc(N(C)C)nc(-n2c(OC)nc(N(C)C)nc2=O)n1.
What is the InChIKey of 4-(dimethylamino)-1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6-methoxy-1,3,5-triazin-2-one?
The InChIKey is GHQAVTSDTIBBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8O3/c1-18(2)7-13-9(15-10(14-7)22-5)20-11(21)16-8(19(3)4)17-12(20)23-6/h1-6H3.
What are the key properties of 4-(dimethylamino)-1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6-methoxy-1,3,5-triazin-2-one?
4-(dimethylamino)-1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6-methoxy-1,3,5-triazin-2-one has a molecular weight of 322.33 g/mol, XLogP of -1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6-methoxy-1,3,5-triazin-2-one is sourced from PubChem (CID 629464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).