1-[4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyrimidin-2-yl]-2,3-dihydroindole

C22H24N6 — CID 25251781

IUPAC1-[4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyrimidin-2-yl]-2,3-dihydroindole
SMILESCc1nc(N2CCCCC2)ncc1-c1ccnc(N2CCc3ccccc32)n1
InChIInChI=1S/C22H24N6/c1-16-18(15-24-21(25-16)27-12-5-2-6-13-27)19-9-11-23-22(26-19)28-14-10-17-7-3-4-8-20(17)28/h3-4,7-9,11,15H,2,5-6,10,12-14H2,1H3
InChIKeyWBPUHNQHIAHHNJ-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.93
Rot. Bonds3

About 1-[4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyrimidin-2-yl]-2,3-dihydroindole

1-[4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyrimidin-2-yl]-2,3-dihydroindole (PubChem CID 25251781) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 1-[4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyrimidin-2-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyrimidin-2-yl]-2,3-dihydroindole
PubChem CID25251781
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name1-[4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyrimidin-2-yl]-2,3-dihydroindole
SMILESCc1nc(N2CCCCC2)ncc1-c1ccnc(N2CCc3ccccc32)n1
InChIInChI=1S/C22H24N6/c1-16-18(15-24-21(25-16)27-12-5-2-6-13-27)19-9-11-23-22(26-19)28-14-10-17-7-3-4-8-20(17)28/h3-4,7-9,11,15H,2,5-6,10,12-14H2,1H3
InChIKeyWBPUHNQHIAHHNJ-UHFFFAOYSA-N
XLogP3.93
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyrimidin-2-yl]-2,3-dihydroindole?
The IUPAC name of 1-[4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyrimidin-2-yl]-2,3-dihydroindole (CID 25251781) is 1-[4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyrimidin-2-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-[4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyrimidin-2-yl]-2,3-dihydroindole?
The canonical SMILES for 1-[4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyrimidin-2-yl]-2,3-dihydroindole is Cc1nc(N2CCCCC2)ncc1-c1ccnc(N2CCc3ccccc32)n1.
What is the InChIKey of 1-[4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyrimidin-2-yl]-2,3-dihydroindole?
The InChIKey is WBPUHNQHIAHHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c1-16-18(15-24-21(25-16)27-12-5-2-6-13-27)19-9-11-23-22(26-19)28-14-10-17-7-3-4-8-20(17)28/h3-4,7-9,11,15H,2,5-6,10,12-14H2,1H3.
What are the key properties of 1-[4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyrimidin-2-yl]-2,3-dihydroindole?
1-[4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyrimidin-2-yl]-2,3-dihydroindole has a molecular weight of 372.48 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyrimidin-2-yl]-2,3-dihydroindole is sourced from PubChem (CID 25251781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).