4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine

C15H18N4O2 — CID 56811782

IUPAC4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)CC2COc3ccccc3O2)nc(N)n1
InChIInChI=1S/C15H18N4O2/c1-10-7-14(18-15(16)17-10)19(2)8-11-9-20-12-5-3-4-6-13(12)21-11/h3-7,11H,8-9H2,1-2H3,(H2,16,17,18)
InChIKeyODYRZOIDHIIFLR-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.64
Rot. Bonds3

About 4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine

4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 56811782) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID56811782
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)CC2COc3ccccc3O2)nc(N)n1
InChIInChI=1S/C15H18N4O2/c1-10-7-14(18-15(16)17-10)19(2)8-11-9-20-12-5-3-4-6-13(12)21-11/h3-7,11H,8-9H2,1-2H3,(H2,16,17,18)
InChIKeyODYRZOIDHIIFLR-UHFFFAOYSA-N
XLogP1.64
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine (CID 56811782) is 4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine is Cc1cc(N(C)CC2COc3ccccc3O2)nc(N)n1.
What is the InChIKey of 4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is ODYRZOIDHIIFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-7-14(18-15(16)17-10)19(2)8-11-9-20-12-5-3-4-6-13(12)21-11/h3-7,11H,8-9H2,1-2H3,(H2,16,17,18).
What are the key properties of 4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 286.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 56811782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).