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

C13H15N5O3 — CID 57173096

IUPAC[4-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]phenyl] carbamate
SMILESCOc1nc(-c2ccc(OC(N)=O)cc2)nc(N(C)C)n1
InChIInChI=1S/C13H15N5O3/c1-18(2)12-15-10(16-13(17-12)20-3)8-4-6-9(7-5-8)21-11(14)19/h4-7H,1-3H3,(H2,14,19)
InChIKeyXUMWCNPMKLAHTD-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.07
Rot. Bonds4

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

[4-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]phenyl] carbamate (PubChem CID 57173096) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is [4-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]phenyl] carbamate.

Molecular Properties

Compound Name[4-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]phenyl] carbamate
PubChem CID57173096
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name[4-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]phenyl] carbamate
SMILESCOc1nc(-c2ccc(OC(N)=O)cc2)nc(N(C)C)n1
InChIInChI=1S/C13H15N5O3/c1-18(2)12-15-10(16-13(17-12)20-3)8-4-6-9(7-5-8)21-11(14)19/h4-7H,1-3H3,(H2,14,19)
InChIKeyXUMWCNPMKLAHTD-UHFFFAOYSA-N
XLogP1.07
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]phenyl] carbamate?
The IUPAC name of [4-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]phenyl] carbamate (CID 57173096) is [4-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]phenyl] carbamate.
What is the SMILES notation for [4-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]phenyl] carbamate?
The canonical SMILES for [4-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]phenyl] carbamate is COc1nc(-c2ccc(OC(N)=O)cc2)nc(N(C)C)n1.
What is the InChIKey of [4-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]phenyl] carbamate?
The InChIKey is XUMWCNPMKLAHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-18(2)12-15-10(16-13(17-12)20-3)8-4-6-9(7-5-8)21-11(14)19/h4-7H,1-3H3,(H2,14,19).
What are the key properties of [4-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]phenyl] carbamate?
[4-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]phenyl] carbamate has a molecular weight of 289.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]phenyl] carbamate is sourced from PubChem (CID 57173096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).