1-[3-(diethylamino)propyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

C24H32N4O2S — CID 18578653

IUPAC1-[3-(diethylamino)propyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESCCN(CC)CCCn1c2c(c(SCC(=O)N3CCc4ccccc43)nc1=O)CCC2
InChIInChI=1S/C24H32N4O2S/c1-3-26(4-2)14-8-15-28-21-12-7-10-19(21)23(25-24(28)30)31-17-22(29)27-16-13-18-9-5-6-11-20(18)27/h5-6,9,11H,3-4,7-8,10,12-17H2,1-2H3
InChIKeyADNQWSNZKLFVLO-UHFFFAOYSA-N
MW440.61 g/mol
LogP3.15
Rot. Bonds9

About 1-[3-(diethylamino)propyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

1-[3-(diethylamino)propyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (PubChem CID 18578653) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
PubChem CID18578653
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC Name1-[3-(diethylamino)propyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESCCN(CC)CCCn1c2c(c(SCC(=O)N3CCc4ccccc43)nc1=O)CCC2
InChIInChI=1S/C24H32N4O2S/c1-3-26(4-2)14-8-15-28-21-12-7-10-19(21)23(25-24(28)30)31-17-22(29)27-16-13-18-9-5-6-11-20(18)27/h5-6,9,11H,3-4,7-8,10,12-17H2,1-2H3
InChIKeyADNQWSNZKLFVLO-UHFFFAOYSA-N
XLogP3.15
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The IUPAC name of 1-[3-(diethylamino)propyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (CID 18578653) is 1-[3-(diethylamino)propyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 1-[3-(diethylamino)propyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is CCN(CC)CCCn1c2c(c(SCC(=O)N3CCc4ccccc43)nc1=O)CCC2.
What is the InChIKey of 1-[3-(diethylamino)propyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The InChIKey is ADNQWSNZKLFVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-3-26(4-2)14-8-15-28-21-12-7-10-19(21)23(25-24(28)30)31-17-22(29)27-16-13-18-9-5-6-11-20(18)27/h5-6,9,11H,3-4,7-8,10,12-17H2,1-2H3.
What are the key properties of 1-[3-(diethylamino)propyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
1-[3-(diethylamino)propyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one has a molecular weight of 440.61 g/mol, XLogP of 3.15, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 18578653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).