2-methyl-1-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole

C20H26N4 — CID 112876617

IUPAC2-methyl-1-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
SMILESCc1nc(N2CCCC(C)C2)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C20H26N4/c1-14-7-6-10-23(13-14)19-12-20(22-16(3)21-19)24-15(2)11-17-8-4-5-9-18(17)24/h4-5,8-9,12,14-15H,6-7,10-11,13H2,1-3H3
InChIKeyAKFGERBIVMABRP-UHFFFAOYSA-N
MW322.46 g/mol
LogP4.10
Rot. Bonds2

About 2-methyl-1-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole

2-methyl-1-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole (PubChem CID 112876617) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-methyl-1-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
PubChem CID112876617
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name2-methyl-1-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
SMILESCc1nc(N2CCCC(C)C2)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C20H26N4/c1-14-7-6-10-23(13-14)19-12-20(22-16(3)21-19)24-15(2)11-17-8-4-5-9-18(17)24/h4-5,8-9,12,14-15H,6-7,10-11,13H2,1-3H3
InChIKeyAKFGERBIVMABRP-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole
CID 112876835
1-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112877328
2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112856161
2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 112875578
1-(6-chloro-2-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline
CID 55080188
N,2-dimethyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 129372098
N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112871546
N,2-dimethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 80755891
N-(2-bromophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876605
4-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113193343
2-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113194954
2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876539

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole (CID 112876617) is 2-methyl-1-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole is Cc1nc(N2CCCC(C)C2)cc(N2c3ccccc3CC2C)n1.
What is the InChIKey of 2-methyl-1-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole?
The InChIKey is AKFGERBIVMABRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-14-7-6-10-23(13-14)19-12-20(22-16(3)21-19)24-15(2)11-17-8-4-5-9-18(17)24/h4-5,8-9,12,14-15H,6-7,10-11,13H2,1-3H3.
What are the key properties of 2-methyl-1-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole?
2-methyl-1-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole has a molecular weight of 322.46 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole is sourced from PubChem (CID 112876617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).