6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine

C24H26N6O2 — CID 22541782

IUPAC6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(CCNc2ncnc(Nc3cccc4nc(C)ccc34)c2N)cc1OC
InChIInChI=1S/C24H26N6O2/c1-15-7-9-17-18(29-15)5-4-6-19(17)30-24-22(25)23(27-14-28-24)26-12-11-16-8-10-20(31-2)21(13-16)32-3/h4-10,13-14H,11-12,25H2,1-3H3,(H2,26,27,28,30)
InChIKeyJTPANCUGBDCLMN-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.33
Rot. Bonds8

About 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine

6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine (PubChem CID 22541782) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
PubChem CID22541782
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(CCNc2ncnc(Nc3cccc4nc(C)ccc34)c2N)cc1OC
InChIInChI=1S/C24H26N6O2/c1-15-7-9-17-18(29-15)5-4-6-19(17)30-24-22(25)23(27-14-28-24)26-12-11-16-8-10-20(31-2)21(13-16)32-3/h4-10,13-14H,11-12,25H2,1-3H3,(H2,26,27,28,30)
InChIKeyJTPANCUGBDCLMN-UHFFFAOYSA-N
XLogP4.33
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

ethyl 2-[[5-amino-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]amino]benzoate
CID 22541770
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
CID 19150610
6-N-[(4-fluorophenyl)methyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
CID 19153840
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22541569
4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
CID 19137237
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541698
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
6-chloro-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
CID 23477635
4-N-benzyl-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-methylpyrimidine-4,5,6-triamine
CID 22539473
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 22541634
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541754
4-N-[(4-chlorophenyl)methyl]-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,5,6-triamine
CID 22541701

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine (CID 22541782) is 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine is COc1ccc(CCNc2ncnc(Nc3cccc4nc(C)ccc34)c2N)cc1OC.
What is the InChIKey of 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine?
The InChIKey is JTPANCUGBDCLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-15-7-9-17-18(29-15)5-4-6-19(17)30-24-22(25)23(27-14-28-24)26-12-11-16-8-10-20(31-2)21(13-16)32-3/h4-10,13-14H,11-12,25H2,1-3H3,(H2,26,27,28,30).
What are the key properties of 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine?
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine has a molecular weight of 430.51 g/mol, XLogP of 4.33, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22541782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).