6-(3,4-dihydro-2H-chromen-8-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C14H17N5O — CID 114747343

IUPAC6-(3,4-dihydro-2H-chromen-8-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(-c2cccc3c2OCCC3)n1
InChIInChI=1S/C14H17N5O/c1-19(2)14-17-12(16-13(15)18-14)10-7-3-5-9-6-4-8-20-11(9)10/h3,5,7H,4,6,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyYMGXADHJKUKFMB-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.51
Rot. Bonds2

About 6-(3,4-dihydro-2H-chromen-8-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(3,4-dihydro-2H-chromen-8-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 114747343) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-chromen-8-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-chromen-8-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID114747343
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name6-(3,4-dihydro-2H-chromen-8-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(-c2cccc3c2OCCC3)n1
InChIInChI=1S/C14H17N5O/c1-19(2)14-17-12(16-13(15)18-14)10-7-3-5-9-6-4-8-20-11(9)10/h3,5,7H,4,6,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyYMGXADHJKUKFMB-UHFFFAOYSA-N
XLogP1.51
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-chromen-8-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3,4-dihydro-2H-chromen-8-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 114747343) is 6-(3,4-dihydro-2H-chromen-8-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3,4-dihydro-2H-chromen-8-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3,4-dihydro-2H-chromen-8-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(-c2cccc3c2OCCC3)n1.
What is the InChIKey of 6-(3,4-dihydro-2H-chromen-8-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YMGXADHJKUKFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-19(2)14-17-12(16-13(15)18-14)10-7-3-5-9-6-4-8-20-11(9)10/h3,5,7H,4,6,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-(3,4-dihydro-2H-chromen-8-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(3,4-dihydro-2H-chromen-8-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 271.32 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-chromen-8-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114747343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).