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

C15H14ClN5O2 — CID 694087

IUPAC6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)cc1
InChIInChI=1S/C15H14ClN5O2/c1-22-11-6-4-10(5-7-11)18-15-20-13(16)19-14(21-15)17-9-12-3-2-8-23-12/h2-8H,9H2,1H3,(H2,17,18,19,20,21)
InChIKeyJQUZWLQYKFCDGT-UHFFFAOYSA-N
MW331.76 g/mol
LogP3.48
Rot. Bonds6

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

6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 694087) has the molecular formula C15H14ClN5O2 and a molecular weight of 331.76 g/mol. Its IUPAC name is 6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID694087
Molecular FormulaC15H14ClN5O2
Molecular Weight331.76 g/mol
Exact Mass331.08
IUPAC Name6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)cc1
InChIInChI=1S/C15H14ClN5O2/c1-22-11-6-4-10(5-7-11)18-15-20-13(16)19-14(21-15)17-9-12-3-2-8-23-12/h2-8H,9H2,1H3,(H2,17,18,19,20,21)
InChIKeyJQUZWLQYKFCDGT-UHFFFAOYSA-N
XLogP3.48
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 790413
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 90894993
2-N-[(2-chlorophenyl)methylideneamino]-6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 91962085
2-N-[(E)-benzylideneamino]-6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 5334418
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
2-N-[(2,4-dichlorophenyl)methylideneamino]-6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 91962050
6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272
6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1158968
2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134140226
2-N-[(2-fluorophenyl)methylideneamino]-6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 2853247
6-chloro-2-N-(4-methoxyphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80760173
6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-2-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 90484442

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 694087) is 6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)cc1.
What is the InChIKey of 6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JQUZWLQYKFCDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2/c1-22-11-6-4-10(5-7-11)18-15-20-13(16)19-14(21-15)17-9-12-3-2-8-23-12/h2-8H,9H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 331.76 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 694087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).