6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine

C23H26N4O — CID 112874295

IUPAC6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(N3CCCc4ccccc43)nc(C)n2)cc1
InChIInChI=1S/C23H26N4O/c1-17-25-22(24-14-13-18-9-11-20(28-2)12-10-18)16-23(26-17)27-15-5-7-19-6-3-4-8-21(19)27/h3-4,6,8-12,16H,5,7,13-15H2,1-2H3,(H,24,25,26)
InChIKeyJJHGDFHCEIJDEG-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.53
Rot. Bonds6

About 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine

6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 112874295) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID112874295
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(N3CCCc4ccccc43)nc(C)n2)cc1
InChIInChI=1S/C23H26N4O/c1-17-25-22(24-14-13-18-9-11-20(28-2)12-10-18)16-23(26-17)27-15-5-7-19-6-3-4-8-21(19)27/h3-4,6,8-12,16H,5,7,13-15H2,1-2H3,(H,24,25,26)
InChIKeyJJHGDFHCEIJDEG-UHFFFAOYSA-N
XLogP4.53
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874212
6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872815
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 112918466
N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine
CID 112922676
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869178
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112877336
3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazin-5-amine
CID 112954146
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
CID 112921049
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 112927864
4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
CID 112922578
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112874289
4-N-[2-(4-fluorophenyl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874009

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine (CID 112874295) is 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine is COc1ccc(CCNc2cc(N3CCCc4ccccc43)nc(C)n2)cc1.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is JJHGDFHCEIJDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-25-22(24-14-13-18-9-11-20(28-2)12-10-18)16-23(26-17)27-15-5-7-19-6-3-4-8-21(19)27/h3-4,6,8-12,16H,5,7,13-15H2,1-2H3,(H,24,25,26).
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 374.49 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112874295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).