4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine

C23H26N4O2 — CID 112922578

IUPAC4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
SMILESCOc1ccc(CCNc2nc(C)cc(N3CCc4ccccc43)n2)cc1OC
InChIInChI=1S/C23H26N4O2/c1-16-14-22(27-13-11-18-6-4-5-7-19(18)27)26-23(25-16)24-12-10-17-8-9-20(28-2)21(15-17)29-3/h4-9,14-15H,10-13H2,1-3H3,(H,24,25,26)
InChIKeyJEFANKHUERLXSI-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.15
Rot. Bonds7

About 4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine

4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine (PubChem CID 112922578) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
PubChem CID112922578
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
SMILESCOc1ccc(CCNc2nc(C)cc(N3CCc4ccccc43)n2)cc1OC
InChIInChI=1S/C23H26N4O2/c1-16-14-22(27-13-11-18-6-4-5-7-19(18)27)26-23(25-16)24-12-10-17-8-9-20(28-2)21(15-17)29-3/h4-9,14-15H,10-13H2,1-3H3,(H,24,25,26)
InChIKeyJEFANKHUERLXSI-UHFFFAOYSA-N
XLogP4.15
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine with MolForge

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
CID 112921049
N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine
CID 112922676
N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112908361
4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112925270
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423
N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine
CID 112911256
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 112897300
N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112913021
N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112909128
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874295
6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872815
4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112894122

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine (CID 112922578) is 4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine is COc1ccc(CCNc2nc(C)cc(N3CCc4ccccc43)n2)cc1OC.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine?
The InChIKey is JEFANKHUERLXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-14-22(27-13-11-18-6-4-5-7-19(18)27)26-23(25-16)24-12-10-17-8-9-20(28-2)21(15-17)29-3/h4-9,14-15H,10-13H2,1-3H3,(H,24,25,26).
What are the key properties of 4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine?
4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine has a molecular weight of 390.49 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112922578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).