6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C16H16ClN5O3 — CID 1095341

IUPAC6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)c(OC)c1
InChIInChI=1S/C16H16ClN5O3/c1-23-10-5-6-12(13(8-10)24-2)19-16-21-14(17)20-15(22-16)18-9-11-4-3-7-25-11/h3-8H,9H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyJOWOJZFBHIWINP-UHFFFAOYSA-N
MW361.79 g/mol
LogP3.49
Rot. Bonds7

About 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 1095341) has the molecular formula C16H16ClN5O3 and a molecular weight of 361.79 g/mol. Its IUPAC name is 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID1095341
Molecular FormulaC16H16ClN5O3
Molecular Weight361.79 g/mol
Exact Mass361.09
IUPAC Name6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)c(OC)c1
InChIInChI=1S/C16H16ClN5O3/c1-23-10-5-6-12(13(8-10)24-2)19-16-21-14(17)20-15(22-16)18-9-11-4-3-7-25-11/h3-8H,9H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyJOWOJZFBHIWINP-UHFFFAOYSA-N
XLogP3.49
TPSA94.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-((4-Chloro-6-((furan-2-ylmethyl)amino)-1,3,5-triazin-2-yl)amino)phenol
CID 556948
6-Chloro-N-furan-2-ylmethyl-N'-(4-methoxy-phenyl)-[1,3,5]triazine-2,4-diamine
CID 694087
N2-(furan-2-ylmethyl)-N4-(4-methoxyphenyl)-6-morpholino-1,3,5-triazine-2,4-diamine
CID 1158981
N-(2,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)piperazine-1-carbothioamide
CID 2207518
6-Ethoxy-N-(2-fluoro-phenyl)-N'-furan-2-ylmethyl-[1,3,5]triazine-2,4-diamine
CID 3146878
6-Ethoxy-N-furan-2-ylmethyl-N'-(4-methoxy-phenyl)-[1,3,5]triazine-2,4-diamine
CID 650272
N~2~-(2-furylmethyl)-N~4~,N~6~-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 4089891
1-(2,4-Dimethoxyphenyl)-3-(furan-2-ylmethyl)urea
CID 311251
1-(2,4-Dimethoxyphenyl)-3-(furan-2-ylmethyl)thiourea
CID 799853
[4-Chloro-6-(2,4-dimethoxy-phenylamino)-[1,3,5]triazin-2-ylamino]-acetic acid ethyl ester
CID 1111831
2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 1158965
2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134140226

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 1095341) is 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)c(OC)c1.
What is the InChIKey of 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JOWOJZFBHIWINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O3/c1-23-10-5-6-12(13(8-10)24-2)19-16-21-14(17)20-15(22-16)18-9-11-4-3-7-25-11/h3-8H,9H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 361.79 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2,4-dimethoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1095341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).