2-N-[(2-methylpropan-2-yl)oxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine

C14H19N5O — CID 66779718

IUPAC2-N-[(2-methylpropan-2-yl)oxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)OCNc1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C14H19N5O/c1-14(2,3)20-9-16-13-18-11(17-12(15)19-13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H3,15,16,17,18,19)
InChIKeyZAOZFMKKOXAABO-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.31
Rot. Bonds4

About 2-N-[(2-methylpropan-2-yl)oxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine

2-N-[(2-methylpropan-2-yl)oxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 66779718) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-N-[(2-methylpropan-2-yl)oxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-methylpropan-2-yl)oxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID66779718
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-N-[(2-methylpropan-2-yl)oxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)OCNc1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C14H19N5O/c1-14(2,3)20-9-16-13-18-11(17-12(15)19-13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H3,15,16,17,18,19)
InChIKeyZAOZFMKKOXAABO-UHFFFAOYSA-N
XLogP2.31
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methylpropan-2-yl)oxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(2-methylpropan-2-yl)oxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine (CID 66779718) is 2-N-[(2-methylpropan-2-yl)oxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(2-methylpropan-2-yl)oxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(2-methylpropan-2-yl)oxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine is CC(C)(C)OCNc1nc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 2-N-[(2-methylpropan-2-yl)oxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZAOZFMKKOXAABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-14(2,3)20-9-16-13-18-11(17-12(15)19-13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H3,15,16,17,18,19).
What are the key properties of 2-N-[(2-methylpropan-2-yl)oxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine?
2-N-[(2-methylpropan-2-yl)oxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methylpropan-2-yl)oxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66779718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).