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

C19H20ClN5O4 — CID 1256977

IUPAC6-chloro-2-N,4-N-bis(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(OC)c(Nc2nc(Cl)nc(Nc3cc(OC)ccc3OC)n2)c1
InChIInChI=1S/C19H20ClN5O4/c1-26-11-5-7-15(28-3)13(9-11)21-18-23-17(20)24-19(25-18)22-14-10-12(27-2)6-8-16(14)29-4/h5-10H,1-4H3,(H2,21,22,23,24,25)
InChIKeyCMJYDQFBJALNRV-UHFFFAOYSA-N
MW417.85 g/mol
LogP4.05
Rot. Bonds8

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

6-chloro-2-N,4-N-bis(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 1256977) has the molecular formula C19H20ClN5O4 and a molecular weight of 417.85 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID1256977
Molecular FormulaC19H20ClN5O4
Molecular Weight417.85 g/mol
Exact Mass417.12
IUPAC Name6-chloro-2-N,4-N-bis(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(OC)c(Nc2nc(Cl)nc(Nc3cc(OC)ccc3OC)n2)c1
InChIInChI=1S/C19H20ClN5O4/c1-26-11-5-7-15(28-3)13(9-11)21-18-23-17(20)24-19(25-18)22-14-10-12(27-2)6-8-16(14)29-4/h5-10H,1-4H3,(H2,21,22,23,24,25)
InChIKeyCMJYDQFBJALNRV-UHFFFAOYSA-N
XLogP4.05
TPSA99.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 1256977) is 6-chloro-2-N,4-N-bis(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccc(OC)c(Nc2nc(Cl)nc(Nc3cc(OC)ccc3OC)n2)c1.
What is the InChIKey of 6-chloro-2-N,4-N-bis(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CMJYDQFBJALNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O4/c1-26-11-5-7-15(28-3)13(9-11)21-18-23-17(20)24-19(25-18)22-14-10-12(27-2)6-8-16(14)29-4/h5-10H,1-4H3,(H2,21,22,23,24,25).
What are the key properties of 6-chloro-2-N,4-N-bis(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 417.85 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1256977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).