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

C10H13N5O — CID 123763796

IUPAC1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine
SMILESNC1=NCN(OCc2ccccc2)C(N)=N1
InChIInChI=1S/C10H13N5O/c11-9-13-7-15(10(12)14-9)16-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,11,12,13,14)
InChIKeySAXNBYSJEHNWIY-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.02
Rot. Bonds3

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

1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine (PubChem CID 123763796) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine
PubChem CID123763796
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine
SMILESNC1=NCN(OCc2ccccc2)C(N)=N1
InChIInChI=1S/C10H13N5O/c11-9-13-7-15(10(12)14-9)16-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,11,12,13,14)
InChIKeySAXNBYSJEHNWIY-UHFFFAOYSA-N
XLogP0.02
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride
CID 44522862
6,6-dimethyl-1-[(4-phenoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine
CID 134107004
1-phenylmethoxyazetidin-3-amine
CID 162036959
(3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one
CID 131201426
6,6-dimethyl-1-(naphthalen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
CID 44522348
5-bromo-1-phenylmethoxypyrrolidin-2-one
CID 22495511
1-phenylmethoxy-1,2,4-triazolidine
CID 174937405
benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate
CID 133060158
1-phenylmethoxy-5,5-bis(trifluoromethyl)-4H-triazole
CID 14894319
3-(2-phenylethyl)-1-phenylmethoxyazetidin-2-one
CID 118225756
[dimethyl(phenylmethoxy)silyl]-dimethyl-phenylmethoxysilane
CID 122390152
3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one
CID 23052513

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine?
The IUPAC name of 1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine (CID 123763796) is 1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine is NC1=NCN(OCc2ccccc2)C(N)=N1.
What is the InChIKey of 1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine?
The InChIKey is SAXNBYSJEHNWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-9-13-7-15(10(12)14-9)16-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,11,12,13,14).
What are the key properties of 1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine?
1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine has a molecular weight of 219.25 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 123763796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).