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

C16H18ClN5O — CID 44522862

IUPAC2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESC1=CC=C(C=C1)CON2C(N=C(N=C2N)N)C3=CC=CC=C3.Cl
InChIInChI=1S/C16H17N5O.ClH/c17-15-19-14(13-9-5-2-6-10-13)21(16(18)20-15)22-11-12-7-3-1-4-8-12;/h1-10,14H,11H2,(H4,17,18,19,20);1H
InChIKeyFSMDRVDPTWPLLQ-UHFFFAOYSA-N
MW331.80 g/mol
LogP—
Rot. Bonds4

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

2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride (PubChem CID 44522862) has the molecular formula C16H18ClN5O and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride
PubChem CID44522862
Molecular FormulaC16H18ClN5O
Molecular Weight331.80 g/mol
Exact Mass331.12
IUPAC Name2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESC1=CC=C(C=C1)CON2C(N=C(N=C2N)N)C3=CC=CC=C3.Cl
InChIInChI=1S/C16H17N5O.ClH/c17-15-19-14(13-9-5-2-6-10-13)21(16(18)20-15)22-11-12-7-3-1-4-8-12;/h1-10,14H,11H2,(H4,17,18,19,20);1H
InChIKeyFSMDRVDPTWPLLQ-UHFFFAOYSA-N
XLogP—
TPSA89.20 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity424

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

6,8,10-Traiazaspiro[4.5]deca-6,8-diene-7,9-diamine, Ib
CID 44239402
2-phenyl-1-(3-phenylpropoxy)-2H-1,3,5-triazine-4,6-diamine;hydrobromide
CID 162676419
1,3,5-Triazaspiro[5.5]undeca-1,3-diene-2,4-diamine, IIb
CID 44239552
1,3,5-Triazaspiro[5.5]undeca-1,3-diene-2,4-diamine, IIc
CID 44239554
N-benzyl-1-(benzyloxy)-4,5-dihydro-1H-imidazol-2-amine
CID 44337196
1-phenylmethoxy-N-(3-phenylpropyl)-4,5-dihydroimidazol-2-amine
CID 44337234
N-(4-phenylbutyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
CID 44337352
2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride
CID 44522564
6-Ethyl-6-methyl-1-phenylmethoxy-1,3,5-triazine-2,4-diamine;hydrochloride
CID 56665107
9-Phenylmethoxy-5,7,9-triazaspiro[3.5]nona-5,7-diene-6,8-diamine;hydrochloride
CID 56675435
2-cyclopropyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride
CID 56678775
2-phenyl-1-(2-phenylethoxy)-2H-1,3,5-triazine-4,6-diamine;hydrobromide
CID 162669523

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The IUPAC name of 2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride (CID 44522862) is 2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride.
What is the SMILES notation for 2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The canonical SMILES for 2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride is C1=CC=C(C=C1)CON2C(N=C(N=C2N)N)C3=CC=CC=C3.Cl.
What is the InChIKey of 2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The InChIKey is FSMDRVDPTWPLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O.ClH/c17-15-19-14(13-9-5-2-6-10-13)21(16(18)20-15)22-11-12-7-3-1-4-8-12;/h1-10,14H,11H2,(H4,17,18,19,20);1H.
What are the key properties of 2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride has a molecular weight of 331.80 g/mol, XLogP of not available, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride is sourced from PubChem (CID 44522862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).