3-[2-(diethylamino)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

C16H20N4O2 — CID 15054195

IUPAC3-[2-(diethylamino)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
SMILESCCN(CC)CCn1c(=O)[nH]c2c([nH]c3ccccc32)c1=O
InChIInChI=1S/C16H20N4O2/c1-3-19(4-2)9-10-20-15(21)14-13(18-16(20)22)11-7-5-6-8-12(11)17-14/h5-8,17H,3-4,9-10H2,1-2H3,(H,18,22)
InChIKeyLFEKFEDAAPEMPQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.51
Rot. Bonds5

About 3-[2-(diethylamino)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

3-[2-(diethylamino)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione (PubChem CID 15054195) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
PubChem CID15054195
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-[2-(diethylamino)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
SMILESCCN(CC)CCn1c(=O)[nH]c2c([nH]c3ccccc32)c1=O
InChIInChI=1S/C16H20N4O2/c1-3-19(4-2)9-10-20-15(21)14-13(18-16(20)22)11-7-5-6-8-12(11)17-14/h5-8,17H,3-4,9-10H2,1-2H3,(H,18,22)
InChIKeyLFEKFEDAAPEMPQ-UHFFFAOYSA-N
XLogP1.51
TPSA73.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
The IUPAC name of 3-[2-(diethylamino)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione (CID 15054195) is 3-[2-(diethylamino)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is CCN(CC)CCn1c(=O)[nH]c2c([nH]c3ccccc32)c1=O.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
The InChIKey is LFEKFEDAAPEMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-19(4-2)9-10-20-15(21)14-13(18-16(20)22)11-7-5-6-8-12(11)17-14/h5-8,17H,3-4,9-10H2,1-2H3,(H,18,22).
What are the key properties of 3-[2-(diethylamino)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
3-[2-(diethylamino)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione has a molecular weight of 300.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is sourced from PubChem (CID 15054195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).