N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine

C22H24N4 — CID 112919023

IUPACN-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCN(Cc1ccccc1)c1nc(C)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C22H24N4/c1-3-25(16-18-9-5-4-6-10-18)22-23-17(2)15-21(24-22)26-14-13-19-11-7-8-12-20(19)26/h4-12,15H,3,13-14,16H2,1-2H3
InChIKeyIKCMUBBYHWUHBQ-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.51
Rot. Bonds5

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

N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine (PubChem CID 112919023) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine
PubChem CID112919023
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC NameN-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCN(Cc1ccccc1)c1nc(C)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C22H24N4/c1-3-25(16-18-9-5-4-6-10-18)22-23-17(2)15-21(24-22)26-14-13-19-11-7-8-12-20(19)26/h4-12,15H,3,13-14,16H2,1-2H3
InChIKeyIKCMUBBYHWUHBQ-UHFFFAOYSA-N
XLogP4.51
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 112918985
N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 112872223
4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 112921603
[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109329497
N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112876095
1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112914025
N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112909128
N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112908361
4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 112902262
6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373418
N-benzyl-6-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112859475
N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine
CID 112892929

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine?
The IUPAC name of N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine (CID 112919023) is N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine is CCN(Cc1ccccc1)c1nc(C)cc(N2CCc3ccccc32)n1.
What is the InChIKey of N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine?
The InChIKey is IKCMUBBYHWUHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-3-25(16-18-9-5-4-6-10-18)22-23-17(2)15-21(24-22)26-14-13-19-11-7-8-12-20(19)26/h4-12,15H,3,13-14,16H2,1-2H3.
What are the key properties of N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine?
N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine has a molecular weight of 344.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112919023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).