8-methoxy-N,N,5-trimethylpyrimido[5,4-b]indol-4-amine

C14H16N4O — CID 665544

IUPAC8-methoxy-N,N,5-trimethylpyrimido[5,4-b]indol-4-amine
SMILESCOc1ccc2c(c1)c1ncnc(N(C)C)c1n2C
InChIInChI=1S/C14H16N4O/c1-17(2)14-13-12(15-8-16-14)10-7-9(19-4)5-6-11(10)18(13)3/h5-8H,1-4H3
InChIKeyLZIHHOWOYPDLSX-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.20
Rot. Bonds2

About 8-methoxy-N,N,5-trimethylpyrimido[5,4-b]indol-4-amine

8-methoxy-N,N,5-trimethylpyrimido[5,4-b]indol-4-amine (PubChem CID 665544) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 8-methoxy-N,N,5-trimethylpyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound Name8-methoxy-N,N,5-trimethylpyrimido[5,4-b]indol-4-amine
PubChem CID665544
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name8-methoxy-N,N,5-trimethylpyrimido[5,4-b]indol-4-amine
SMILESCOc1ccc2c(c1)c1ncnc(N(C)C)c1n2C
InChIInChI=1S/C14H16N4O/c1-17(2)14-13-12(15-8-16-14)10-7-9(19-4)5-6-11(10)18(13)3/h5-8H,1-4H3
InChIKeyLZIHHOWOYPDLSX-UHFFFAOYSA-N
XLogP2.20
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N,N,5-trimethylpyrimido[5,4-b]indol-4-amine?
The IUPAC name of 8-methoxy-N,N,5-trimethylpyrimido[5,4-b]indol-4-amine (CID 665544) is 8-methoxy-N,N,5-trimethylpyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for 8-methoxy-N,N,5-trimethylpyrimido[5,4-b]indol-4-amine?
The canonical SMILES for 8-methoxy-N,N,5-trimethylpyrimido[5,4-b]indol-4-amine is COc1ccc2c(c1)c1ncnc(N(C)C)c1n2C.
What is the InChIKey of 8-methoxy-N,N,5-trimethylpyrimido[5,4-b]indol-4-amine?
The InChIKey is LZIHHOWOYPDLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-17(2)14-13-12(15-8-16-14)10-7-9(19-4)5-6-11(10)18(13)3/h5-8H,1-4H3.
What are the key properties of 8-methoxy-N,N,5-trimethylpyrimido[5,4-b]indol-4-amine?
8-methoxy-N,N,5-trimethylpyrimido[5,4-b]indol-4-amine has a molecular weight of 256.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N,N,5-trimethylpyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 665544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).