8-methyl-4-propoxy-5H-pyrimido[5,4-b]indole

C14H15N3O — CID 2008897

IUPAC8-methyl-4-propoxy-5H-pyrimido[5,4-b]indole
SMILESCCCOc1ncnc2c1[nH]c1ccc(C)cc12
InChIInChI=1S/C14H15N3O/c1-3-6-18-14-13-12(15-8-16-14)10-7-9(2)4-5-11(10)17-13/h4-5,7-8,17H,3,6H2,1-2H3
InChIKeyDMEHLUPXYDEUKX-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.21
Rot. Bonds3

About 8-methyl-4-propoxy-5H-pyrimido[5,4-b]indole

8-methyl-4-propoxy-5H-pyrimido[5,4-b]indole (PubChem CID 2008897) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 8-methyl-4-propoxy-5H-pyrimido[5,4-b]indole.

Molecular Properties

Compound Name8-methyl-4-propoxy-5H-pyrimido[5,4-b]indole
PubChem CID2008897
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name8-methyl-4-propoxy-5H-pyrimido[5,4-b]indole
SMILESCCCOc1ncnc2c1[nH]c1ccc(C)cc12
InChIInChI=1S/C14H15N3O/c1-3-6-18-14-13-12(15-8-16-14)10-7-9(2)4-5-11(10)17-13/h4-5,7-8,17H,3,6H2,1-2H3
InChIKeyDMEHLUPXYDEUKX-UHFFFAOYSA-N
XLogP3.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-propoxy-5H-pyrimido[5,4-b]indole?
The IUPAC name of 8-methyl-4-propoxy-5H-pyrimido[5,4-b]indole (CID 2008897) is 8-methyl-4-propoxy-5H-pyrimido[5,4-b]indole.
What is the SMILES notation for 8-methyl-4-propoxy-5H-pyrimido[5,4-b]indole?
The canonical SMILES for 8-methyl-4-propoxy-5H-pyrimido[5,4-b]indole is CCCOc1ncnc2c1[nH]c1ccc(C)cc12.
What is the InChIKey of 8-methyl-4-propoxy-5H-pyrimido[5,4-b]indole?
The InChIKey is DMEHLUPXYDEUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-6-18-14-13-12(15-8-16-14)10-7-9(2)4-5-11(10)17-13/h4-5,7-8,17H,3,6H2,1-2H3.
What are the key properties of 8-methyl-4-propoxy-5H-pyrimido[5,4-b]indole?
8-methyl-4-propoxy-5H-pyrimido[5,4-b]indole has a molecular weight of 241.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-propoxy-5H-pyrimido[5,4-b]indole is sourced from PubChem (CID 2008897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).