2,4-diethyl-5H-indeno[1,2-d]pyrimidine;2,4-diethyl-9H-indeno[2,1-d]pyrimidine;ethane;propane

C40H60N4 — CID 158396415

IUPAC2,4-diethyl-5H-indeno[1,2-d]pyrimidine;2,4-diethyl-9H-indeno[2,1-d]pyrimidine;ethane;propane
SMILESCC.CC.CCC.CCC.CCc1nc(CC)c2c(n1)-c1ccccc1C2.CCc1nc(CC)c2c(n1)Cc1ccccc1-2
InChIInChI=1S/2C15H16N2.2C3H8.2C2H6/c1-3-13-12-9-10-7-5-6-8-11(10)15(12)17-14(4-2)16-13;1-3-12-15-11-8-6-5-7-10(11)9-13(15)17-14(4-2)16-12;2*1-3-2;2*1-2/h2*5-8H,3-4,9H2,1-2H3;2*3H2,1-2H3;2*1-2H3
InChIKeyGXPDWHXHHCAQGJ-UHFFFAOYSA-N
MW596.95 g/mol
LogP11.23
Rot. Bonds4

About 2,4-diethyl-5H-indeno[1,2-d]pyrimidine;2,4-diethyl-9H-indeno[2,1-d]pyrimidine;ethane;propane

2,4-diethyl-5H-indeno[1,2-d]pyrimidine;2,4-diethyl-9H-indeno[2,1-d]pyrimidine;ethane;propane (PubChem CID 158396415) has the molecular formula C40H60N4 and a molecular weight of 596.95 g/mol. Its IUPAC name is 2,4-diethyl-5H-indeno[1,2-d]pyrimidine;2,4-diethyl-9H-indeno[2,1-d]pyrimidine;ethane;propane.

Molecular Properties

Compound Name2,4-diethyl-5H-indeno[1,2-d]pyrimidine;2,4-diethyl-9H-indeno[2,1-d]pyrimidine;ethane;propane
PubChem CID158396415
Molecular FormulaC40H60N4
Molecular Weight596.95 g/mol
Exact Mass596.48
IUPAC Name2,4-diethyl-5H-indeno[1,2-d]pyrimidine;2,4-diethyl-9H-indeno[2,1-d]pyrimidine;ethane;propane
SMILESCC.CC.CCC.CCC.CCc1nc(CC)c2c(n1)-c1ccccc1C2.CCc1nc(CC)c2c(n1)Cc1ccccc1-2
InChIInChI=1S/2C15H16N2.2C3H8.2C2H6/c1-3-13-12-9-10-7-5-6-8-11(10)15(12)17-14(4-2)16-13;1-3-12-15-11-8-6-5-7-10(11)9-13(15)17-14(4-2)16-12;2*1-3-2;2*1-2/h2*5-8H,3-4,9H2,1-2H3;2*3H2,1-2H3;2*1-2H3
InChIKeyGXPDWHXHHCAQGJ-UHFFFAOYSA-N
XLogP11.23
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.95
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-5H-indeno[1,2-d]pyrimidine;2,4-diethyl-9H-indeno[2,1-d]pyrimidine;ethane;propane?
The IUPAC name of 2,4-diethyl-5H-indeno[1,2-d]pyrimidine;2,4-diethyl-9H-indeno[2,1-d]pyrimidine;ethane;propane (CID 158396415) is 2,4-diethyl-5H-indeno[1,2-d]pyrimidine;2,4-diethyl-9H-indeno[2,1-d]pyrimidine;ethane;propane.
What is the SMILES notation for 2,4-diethyl-5H-indeno[1,2-d]pyrimidine;2,4-diethyl-9H-indeno[2,1-d]pyrimidine;ethane;propane?
The canonical SMILES for 2,4-diethyl-5H-indeno[1,2-d]pyrimidine;2,4-diethyl-9H-indeno[2,1-d]pyrimidine;ethane;propane is CC.CC.CCC.CCC.CCc1nc(CC)c2c(n1)-c1ccccc1C2.CCc1nc(CC)c2c(n1)Cc1ccccc1-2.
What is the InChIKey of 2,4-diethyl-5H-indeno[1,2-d]pyrimidine;2,4-diethyl-9H-indeno[2,1-d]pyrimidine;ethane;propane?
The InChIKey is GXPDWHXHHCAQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H16N2.2C3H8.2C2H6/c1-3-13-12-9-10-7-5-6-8-11(10)15(12)17-14(4-2)16-13;1-3-12-15-11-8-6-5-7-10(11)9-13(15)17-14(4-2)16-12;2*1-3-2;2*1-2/h2*5-8H,3-4,9H2,1-2H3;2*3H2,1-2H3;2*1-2H3.
What are the key properties of 2,4-diethyl-5H-indeno[1,2-d]pyrimidine;2,4-diethyl-9H-indeno[2,1-d]pyrimidine;ethane;propane?
2,4-diethyl-5H-indeno[1,2-d]pyrimidine;2,4-diethyl-9H-indeno[2,1-d]pyrimidine;ethane;propane has a molecular weight of 596.95 g/mol, XLogP of 11.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-5H-indeno[1,2-d]pyrimidine;2,4-diethyl-9H-indeno[2,1-d]pyrimidine;ethane;propane is sourced from PubChem (CID 158396415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).