5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

C24H27N5O4 — CID 69226902

IUPAC5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.Cc1ccc(O)c2ncccc12
InChIInChI=1S/C14H18N4O3.C10H9NO/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-7-4-5-9(12)10-8(7)3-2-6-11-10/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2-6,12H,1H3
InChIKeyFATJAIFYGQDQBS-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.51
Rot. Bonds5

About 5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 69226902) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID69226902
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.Cc1ccc(O)c2ncccc12
InChIInChI=1S/C14H18N4O3.C10H9NO/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-7-4-5-9(12)10-8(7)3-2-6-11-10/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2-6,12H,1H3
InChIKeyFATJAIFYGQDQBS-UHFFFAOYSA-N
XLogP3.51
TPSA138.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol
CID 70937972
benzoic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 71329105
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol
CID 71372579
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane
CID 142411421
1,3-oxazole;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 67721896
4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol
CID 19081616
5-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 12752253
[4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]methanol
CID 19081535
5-[[3-(ethoxymethoxy)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine
CID 101196638
5-[(4-amino-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 21280986
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenol;5-[[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy]methoxy]-3-methoxy-5-methylphenyl]methyl]pyrimidine-2,4-diamine;dibromomethane
CID 161218618
2-[2-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]ethynyl]naphthalene-1,7-diol
CID 67667220

Frequently Asked Questions

What is the IUPAC name of 5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 69226902) is 5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine is COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.Cc1ccc(O)c2ncccc12.
What is the InChIKey of 5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is FATJAIFYGQDQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3.C10H9NO/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-7-4-5-9(12)10-8(7)3-2-6-11-10/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2-6,12H,1H3.
What are the key properties of 5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 449.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 69226902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).