4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine

C21H23N5 — CID 112921603

IUPAC4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
SMILESCc1cc(N2CCc3ccccc32)nc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C21H23N5/c1-16-15-20(26-14-10-18-5-3-4-6-19(18)26)24-21(23-16)25(2)13-9-17-7-11-22-12-8-17/h3-8,11-12,15H,9-10,13-14H2,1-2H3
InChIKeyOFMIJHQUAJNRRC-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.55
Rot. Bonds5

About 4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine

4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine (PubChem CID 112921603) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
PubChem CID112921603
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
SMILESCc1cc(N2CCc3ccccc32)nc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C21H23N5/c1-16-15-20(26-14-10-18-5-3-4-6-19(18)26)24-21(23-16)25(2)13-9-17-7-11-22-12-8-17/h3-8,11-12,15H,9-10,13-14H2,1-2H3
InChIKeyOFMIJHQUAJNRRC-UHFFFAOYSA-N
XLogP3.55
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine with MolForge

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Related Compounds

6-(2,3-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109372331
N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 112919023
2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109331252
2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
CID 109308958
N-butyl-4-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-2-amine
CID 112900683
1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112914025
N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 112872223
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 112895723
4-N-tert-butyl-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921587
2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112915803
4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 129086093
4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112925270

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine (CID 112921603) is 4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine is Cc1cc(N2CCc3ccccc32)nc(N(C)CCc2ccncc2)n1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The InChIKey is OFMIJHQUAJNRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-16-15-20(26-14-10-18-5-3-4-6-19(18)26)24-21(23-16)25(2)13-9-17-7-11-22-12-8-17/h3-8,11-12,15H,9-10,13-14H2,1-2H3.
What are the key properties of 4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine has a molecular weight of 345.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 112921603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).