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

C13H18ClN5O — CID 56678775

IUPAC2-cyclopropyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCl.NC1=NC(C2CC2)N(OCc2ccccc2)C(N)=N1
InChIInChI=1S/C13H17N5O.ClH/c14-12-16-11(10-6-7-10)18(13(15)17-12)19-8-9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2,(H4,14,15,16,17);1H
InChIKeyNVAAWBKNNVCSHC-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.22
Rot. Bonds4

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

2-cyclopropyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride (PubChem CID 56678775) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-cyclopropyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride
PubChem CID56678775
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name2-cyclopropyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCl.NC1=NC(C2CC2)N(OCc2ccccc2)C(N)=N1
InChIInChI=1S/C13H17N5O.ClH/c14-12-16-11(10-6-7-10)18(13(15)17-12)19-8-9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2,(H4,14,15,16,17);1H
InChIKeyNVAAWBKNNVCSHC-UHFFFAOYSA-N
XLogP1.22
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The IUPAC name of 2-cyclopropyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride (CID 56678775) is 2-cyclopropyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride.
What is the SMILES notation for 2-cyclopropyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The canonical SMILES for 2-cyclopropyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride is Cl.NC1=NC(C2CC2)N(OCc2ccccc2)C(N)=N1.
What is the InChIKey of 2-cyclopropyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The InChIKey is NVAAWBKNNVCSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O.ClH/c14-12-16-11(10-6-7-10)18(13(15)17-12)19-8-9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2,(H4,14,15,16,17);1H.
What are the key properties of 2-cyclopropyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
2-cyclopropyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride is sourced from PubChem (CID 56678775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).