2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole

C18H22N4 — CID 112856161

IUPAC2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C18H22N4/c1-14-11-15-7-3-4-8-16(15)22(14)18-12-17(19-13-20-18)21-9-5-2-6-10-21/h3-4,7-8,12-14H,2,5-6,9-11H2,1H3
InChIKeyXIFJARABQMRXPH-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.55
Rot. Bonds2

About 2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole

2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole (PubChem CID 112856161) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
PubChem CID112856161
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C18H22N4/c1-14-11-15-7-3-4-8-16(15)22(14)18-12-17(19-13-20-18)21-9-5-2-6-10-21/h3-4,7-8,12-14H,2,5-6,9-11H2,1H3
InChIKeyXIFJARABQMRXPH-UHFFFAOYSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.55
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-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112865154
[6-(azepan-1-yl)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109355575
[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]hydrazine
CID 80916971
2-methyl-1-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112876617
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
N-cyclopropyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109339394
N-(3-bromophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112867002
4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 133315928
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole
CID 112923882
1-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112877328

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole (CID 112856161) is 2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole is CC1Cc2ccccc2N1c1cc(N2CCCCC2)ncn1.
What is the InChIKey of 2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole?
The InChIKey is XIFJARABQMRXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-14-11-15-7-3-4-8-16(15)22(14)18-12-17(19-13-20-18)21-9-5-2-6-10-21/h3-4,7-8,12-14H,2,5-6,9-11H2,1H3.
What are the key properties of 2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole?
2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole has a molecular weight of 294.40 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 112856161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).