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

C18H22N4 — CID 112868870

IUPAC1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
SMILESCc1nc(N2CCCCC2)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C18H22N4/c1-14-19-17(21-10-5-2-6-11-21)13-18(20-14)22-12-9-15-7-3-4-8-16(15)22/h3-4,7-8,13H,2,5-6,9-12H2,1H3
InChIKeyGVRNRUVURJUUAL-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.47
Rot. Bonds2

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

1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole (PubChem CID 112868870) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
PubChem CID112868870
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
SMILESCc1nc(N2CCCCC2)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C18H22N4/c1-14-19-17(21-10-5-2-6-11-21)13-18(20-14)22-12-9-15-7-3-4-8-16(15)22/h3-4,7-8,13H,2,5-6,9-12H2,1H3
InChIKeyGVRNRUVURJUUAL-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 112877270
N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112876028
1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole
CID 112876835
6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112877083
1-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112877328
[6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112848635
6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360664
1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole
CID 112881040
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112884067
1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112914025
N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112877245
N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 112872223

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole?
The IUPAC name of 1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole (CID 112868870) is 1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole is Cc1nc(N2CCCCC2)cc(N2CCc3ccccc32)n1.
What is the InChIKey of 1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole?
The InChIKey is GVRNRUVURJUUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-14-19-17(21-10-5-2-6-11-21)13-18(20-14)22-12-9-15-7-3-4-8-16(15)22/h3-4,7-8,13H,2,5-6,9-12H2,1H3.
What are the key properties of 1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole?
1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole has a molecular weight of 294.40 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 112868870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).