1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole

C24H27N5 — CID 112881040

IUPAC1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole
SMILESCCN1CCN(c2cc(N3CCc4ccccc43)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H27N5/c1-2-27-14-16-28(17-15-27)22-18-23(26-24(25-22)20-9-4-3-5-10-20)29-13-12-19-8-6-7-11-21(19)29/h3-11,18H,2,12-17H2,1H3
InChIKeyYNVUBOXJQJEMHD-UHFFFAOYSA-N
MW385.52 g/mol
LogP3.98
Rot. Bonds4

About 1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole

1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole (PubChem CID 112881040) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is 1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole
PubChem CID112881040
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC Name1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole
SMILESCCN1CCN(c2cc(N3CCc4ccccc43)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H27N5/c1-2-27-14-16-28(17-15-27)22-18-23(26-24(25-22)20-9-4-3-5-10-20)29-13-12-19-8-6-7-11-21(19)29/h3-11,18H,2,12-17H2,1H3
InChIKeyYNVUBOXJQJEMHD-UHFFFAOYSA-N
XLogP3.98
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 69355120
1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112868870
2-[6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112880942
N-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112854327
1-[1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
CID 7678263
[6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852970
2-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112858045
6-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 112881049
1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112888146
4-(4-ethylpiperazin-1-yl)-2-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
CID 139663427
N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 112919023
2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934083

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole?
The IUPAC name of 1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole (CID 112881040) is 1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole?
The canonical SMILES for 1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole is CCN1CCN(c2cc(N3CCc4ccccc43)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole?
The InChIKey is YNVUBOXJQJEMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-2-27-14-16-28(17-15-27)22-18-23(26-24(25-22)20-9-4-3-5-10-20)29-13-12-19-8-6-7-11-21(19)29/h3-11,18H,2,12-17H2,1H3.
What are the key properties of 1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole?
1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole has a molecular weight of 385.52 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole is sourced from PubChem (CID 112881040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).