2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride

C11H16ClN5O — CID 44522564

IUPAC2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCC1N=C(N)N=C(N)N1OCc1ccccc1.Cl
InChIInChI=1S/C11H15N5O.ClH/c1-8-14-10(12)15-11(13)16(8)17-7-9-5-3-2-4-6-9;/h2-6,8H,7H2,1H3,(H4,12,13,14,15);1H
InChIKeyVCAUYNFVOBQUKO-UHFFFAOYSA-N
MW269.74 g/mol
LogP0.83
Rot. Bonds3

About 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride

2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride (PubChem CID 44522564) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride
PubChem CID44522564
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC Name2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCC1N=C(N)N=C(N)N1OCc1ccccc1.Cl
InChIInChI=1S/C11H15N5O.ClH/c1-8-14-10(12)15-11(13)16(8)17-7-9-5-3-2-4-6-9;/h2-6,8H,7H2,1H3,(H4,12,13,14,15);1H
InChIKeyVCAUYNFVOBQUKO-UHFFFAOYSA-N
XLogP0.83
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The IUPAC name of 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride (CID 44522564) is 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride.
What is the SMILES notation for 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The canonical SMILES for 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride is CC1N=C(N)N=C(N)N1OCc1ccccc1.Cl.
What is the InChIKey of 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The InChIKey is VCAUYNFVOBQUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O.ClH/c1-8-14-10(12)15-11(13)16(8)17-7-9-5-3-2-4-6-9;/h2-6,8H,7H2,1H3,(H4,12,13,14,15);1H.
What are the key properties of 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride has a molecular weight of 269.74 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride is sourced from PubChem (CID 44522564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).