N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine

C23H26N4O2 — CID 112924525

IUPACN-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(OCCNc2cc(C)nc(N3c4ccccc4CC3C)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-16-14-22(24-12-13-29-20-10-8-19(28-3)9-11-20)26-23(25-16)27-17(2)15-18-6-4-5-7-21(18)27/h4-11,14,17H,12-13,15H2,1-3H3,(H,24,25,26)
InChIKeyFRWPTTJSZKUEGO-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.37
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine

N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (PubChem CID 112924525) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
PubChem CID112924525
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(OCCNc2cc(C)nc(N3c4ccccc4CC3C)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-16-14-22(24-12-13-29-20-10-8-19(28-3)9-11-20)26-23(25-16)27-17(2)15-18-6-4-5-7-21(18)27/h4-11,14,17H,12-13,15H2,1-3H3,(H,24,25,26)
InChIKeyFRWPTTJSZKUEGO-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112911855
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 112920435
N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-4-amine
CID 112935236
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112922431
N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112886156
N-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112928303
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912289
N-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112929830
4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine
CID 112931696
6-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869510
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112911567
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112911371

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (CID 112924525) is N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is COc1ccc(OCCNc2cc(C)nc(N3c4ccccc4CC3C)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The InChIKey is FRWPTTJSZKUEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-14-22(24-12-13-29-20-10-8-19(28-3)9-11-20)26-23(25-16)27-17(2)15-18-6-4-5-7-21(18)27/h4-11,14,17H,12-13,15H2,1-3H3,(H,24,25,26).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine has a molecular weight of 390.49 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112924525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).