4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

C22H21N5O3 — CID 23536360

IUPAC4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2ncnc(Nc3ccc4ccccc4c3)n2)cc(OC)c1OC
InChIInChI=1S/C22H21N5O3/c1-28-18-11-17(12-19(29-2)20(18)30-3)26-22-24-13-23-21(27-22)25-16-9-8-14-6-4-5-7-15(14)10-16/h4-13H,1-3H3,(H2,23,24,25,26,27)
InChIKeyQLHPKTYPPJIUFR-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.54
Rot. Bonds7

About 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 23536360) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID23536360
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2ncnc(Nc3ccc4ccccc4c3)n2)cc(OC)c1OC
InChIInChI=1S/C22H21N5O3/c1-28-18-11-17(12-19(29-2)20(18)30-3)26-22-24-13-23-21(27-22)25-16-9-8-14-6-4-5-7-15(14)10-16/h4-13H,1-3H3,(H2,23,24,25,26,27)
InChIKeyQLHPKTYPPJIUFR-UHFFFAOYSA-N
XLogP4.54
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

CID 2730220
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CID 54585372
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CID 23536094
CID 23536094
CID 142498639
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CID 117086777
CID 117086777
CID 23535774
CID 23535774
CID 23536001
CID 23536001
CID 23536037
CID 23536037
CID 23536085
CID 23536085
CID 23536103
CID 23536103
CID 23536328
CID 23536328
CID 23536344
CID 23536344

Frequently Asked Questions

What is the IUPAC name of 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 23536360) is 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1cc(Nc2ncnc(Nc3ccc4ccccc4c3)n2)cc(OC)c1OC.
What is the InChIKey of 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QLHPKTYPPJIUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-28-18-11-17(12-19(29-2)20(18)30-3)26-22-24-13-23-21(27-22)25-16-9-8-14-6-4-5-7-15(14)10-16/h4-13H,1-3H3,(H2,23,24,25,26,27).
What are the key properties of 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 403.44 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23536360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).