2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine

C22H24N4O3 — CID 112906567

IUPAC2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1cc(Nc2ccnc(N3c4ccccc4CC3C)n2)cc(OC)c1OC
InChIInChI=1S/C22H24N4O3/c1-14-11-15-7-5-6-8-17(15)26(14)22-23-10-9-20(25-22)24-16-12-18(27-2)21(29-4)19(13-16)28-3/h5-10,12-14H,11H2,1-4H3,(H,23,24,25)
InChIKeyWPKNQFIIUYMXSJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.33
Rot. Bonds6

About 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine

2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine (PubChem CID 112906567) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
PubChem CID112906567
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1cc(Nc2ccnc(N3c4ccccc4CC3C)n2)cc(OC)c1OC
InChIInChI=1S/C22H24N4O3/c1-14-11-15-7-5-6-8-17(15)26(14)22-23-10-9-20(25-22)24-16-12-18(27-2)21(29-4)19(13-16)28-3/h5-10,12-14H,11H2,1-4H3,(H,23,24,25)
InChIKeyWPKNQFIIUYMXSJ-UHFFFAOYSA-N
XLogP4.33
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112906637
methyl 2-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoate
CID 112905856
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-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112929830
2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112884414
1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole
CID 66493775
N-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112950861
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
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112924525
2-N-(2-chlorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903653
2-(2-methyl-2,3-dihydroindol-1-yl)-N,N-dipropylpyrimidin-4-amine
CID 112901248

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine (CID 112906567) is 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine is COc1cc(Nc2ccnc(N3c4ccccc4CC3C)n2)cc(OC)c1OC.
What is the InChIKey of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine?
The InChIKey is WPKNQFIIUYMXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-11-15-7-5-6-8-17(15)26(14)22-23-10-9-20(25-22)24-16-12-18(27-2)21(29-4)19(13-16)28-3/h5-10,12-14H,11H2,1-4H3,(H,23,24,25).
What are the key properties of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine?
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine has a molecular weight of 392.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112906567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).