N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine

C21H22N4 — CID 112903002

IUPACN-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
SMILESCCN(c1ccccc1)c1nccc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C21H22N4/c1-3-24(18-10-5-4-6-11-18)21-22-14-13-20(23-21)25-16(2)15-17-9-7-8-12-19(17)25/h4-14,16H,3,15H2,1-2H3
InChIKeyMWTZOIYKPJEFKN-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.72
Rot. Bonds4

About N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine

N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine (PubChem CID 112903002) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
PubChem CID112903002
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC NameN-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
SMILESCCN(c1ccccc1)c1nccc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C21H22N4/c1-3-24(18-10-5-4-6-11-18)21-22-14-13-20(23-21)25-16(2)15-17-9-7-8-12-19(17)25/h4-14,16H,3,15H2,1-2H3
InChIKeyMWTZOIYKPJEFKN-UHFFFAOYSA-N
XLogP4.72
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
CID 112902154
N-ethyl-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-4-amine
CID 112928815
2-methyl-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112899050
N-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112900846
4-[4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]morpholine
CID 112886644
4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889950
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112902001
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890774
4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 112902262
N-benzyl-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109170283
N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112854263
N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109124497

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine (CID 112903002) is N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine is CCN(c1ccccc1)c1nccc(N2c3ccccc3CC2C)n1.
What is the InChIKey of N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine?
The InChIKey is MWTZOIYKPJEFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-3-24(18-10-5-4-6-11-18)21-22-14-13-20(23-21)25-16(2)15-17-9-7-8-12-19(17)25/h4-14,16H,3,15H2,1-2H3.
What are the key properties of N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine?
N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine has a molecular weight of 330.44 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 112903002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).