4-(3,4-dihydro-2H-chromen-8-yl)-6-methoxy-1,3,5-triazin-2-amine

C13H14N4O2 — CID 114747408

IUPAC4-(3,4-dihydro-2H-chromen-8-yl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(-c2cccc3c2OCCC3)n1
InChIInChI=1S/C13H14N4O2/c1-18-13-16-11(15-12(14)17-13)9-6-2-4-8-5-3-7-19-10(8)9/h2,4,6H,3,5,7H2,1H3,(H2,14,15,16,17)
InChIKeySVXOZWFWULFIMB-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.45
Rot. Bonds2

About 4-(3,4-dihydro-2H-chromen-8-yl)-6-methoxy-1,3,5-triazin-2-amine

4-(3,4-dihydro-2H-chromen-8-yl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 114747408) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-8-yl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-8-yl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID114747408
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-(3,4-dihydro-2H-chromen-8-yl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(-c2cccc3c2OCCC3)n1
InChIInChI=1S/C13H14N4O2/c1-18-13-16-11(15-12(14)17-13)9-6-2-4-8-5-3-7-19-10(8)9/h2,4,6H,3,5,7H2,1H3,(H2,14,15,16,17)
InChIKeySVXOZWFWULFIMB-UHFFFAOYSA-N
XLogP1.45
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-6-methoxy-1,3,5-triazin-2-amine (CID 114747408) is 4-(3,4-dihydro-2H-chromen-8-yl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-8-yl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-8-yl)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(-c2cccc3c2OCCC3)n1.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-8-yl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is SVXOZWFWULFIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-18-13-16-11(15-12(14)17-13)9-6-2-4-8-5-3-7-19-10(8)9/h2,4,6H,3,5,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-(3,4-dihydro-2H-chromen-8-yl)-6-methoxy-1,3,5-triazin-2-amine?
4-(3,4-dihydro-2H-chromen-8-yl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 258.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-8-yl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 114747408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).