Dosamix

C17H25Cl2N7O2 — CID 119486

IUPAC6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea
SMILESCCNC1=NC(=NC(=N1)Cl)NCC.CN(C)C(=O)NC1=CC(=C(C=C1)OC)Cl
InChIInChI=1S/C10H13ClN2O2.C7H12ClN5/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7;1-3-9-6-11-5(8)12-7(13-6)10-4-2/h4-6H,1-3H3,(H,12,14);3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKeyVSQAWKVYUGTCFE-UHFFFAOYSA-N
MW430.30 g/mol
LogP—
Rot. Bonds6

About Dosamix

Dosamix (PubChem CID 119486) has the molecular formula C17H25Cl2N7O2 and a molecular weight of 430.30 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea.

Molecular Properties

Compound NameDosamix
PubChem CID119486
Molecular FormulaC17H25Cl2N7O2
Molecular Weight430.30 g/mol
Exact Mass429.14
IUPAC Name6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea
SMILESCCNC1=NC(=NC(=N1)Cl)NCC.CN(C)C(=O)NC1=CC(=C(C=C1)OC)Cl
InChIInChI=1S/C10H13ClN2O2.C7H12ClN5/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7;1-3-9-6-11-5(8)12-7(13-6)10-4-2/h4-6H,1-3H3,(H,12,14);3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKeyVSQAWKVYUGTCFE-UHFFFAOYSA-N
XLogP—
TPSA104.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity354

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of Dosamix?
The IUPAC name of Dosamix (CID 119486) is 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea.
What is the SMILES notation for Dosamix?
The canonical SMILES for Dosamix is CCNC1=NC(=NC(=N1)Cl)NCC.CN(C)C(=O)NC1=CC(=C(C=C1)OC)Cl.
What is the InChIKey of Dosamix?
The InChIKey is VSQAWKVYUGTCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2.C7H12ClN5/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7;1-3-9-6-11-5(8)12-7(13-6)10-4-2/h4-6H,1-3H3,(H,12,14);3-4H2,1-2H3,(H2,9,10,11,12,13).
What are the key properties of Dosamix?
Dosamix has a molecular weight of 430.30 g/mol, XLogP of not available, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Dosamix is sourced from PubChem (CID 119486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).