4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine

C21H22N4 — CID 112902262

IUPAC4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCCN(c1cccc(C)c1)c1nccc(N2CCc3ccccc32)n1
InChIInChI=1S/C21H22N4/c1-3-24(18-9-6-7-16(2)15-18)21-22-13-11-20(23-21)25-14-12-17-8-4-5-10-19(17)25/h4-11,13,15H,3,12,14H2,1-2H3
InChIKeyWJIAKEQQSOGSSE-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.64
Rot. Bonds4

About 4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine

4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine (PubChem CID 112902262) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
PubChem CID112902262
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCCN(c1cccc(C)c1)c1nccc(N2CCc3ccccc32)n1
InChIInChI=1S/C21H22N4/c1-3-24(18-9-6-7-16(2)15-18)21-22-13-11-20(23-21)25-14-12-17-8-4-5-10-19(17)25/h4-11,13,15H,3,12,14H2,1-2H3
InChIKeyWJIAKEQQSOGSSE-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone
CID 109314535
N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine
CID 112898489
2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)-4-pyridinyl]methanone
CID 109176460
N-butyl-4-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-2-amine
CID 112900683
2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498
4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
CID 112890188
4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541695
N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 112919023
[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302364
2-(2,3-dihydroindol-1-yl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109335444
N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
CID 112903002
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine (CID 112902262) is 4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine is CCN(c1cccc(C)c1)c1nccc(N2CCc3ccccc32)n1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine?
The InChIKey is WJIAKEQQSOGSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-3-24(18-9-6-7-16(2)15-18)21-22-13-11-20(23-21)25-14-12-17-8-4-5-10-19(17)25/h4-11,13,15H,3,12,14H2,1-2H3.
What are the key properties of 4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine?
4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine has a molecular weight of 330.44 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 112902262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).