2-(5-methylpyrimido[5,4-b]indol-4-yl)ethanamine

C13H14N4 — CID 83850078

IUPAC2-(5-methylpyrimido[5,4-b]indol-4-yl)ethanamine
SMILESCn1c2ccccc2c2ncnc(CCN)c21
InChIInChI=1S/C13H14N4/c1-17-11-5-3-2-4-9(11)12-13(17)10(6-7-14)15-8-16-12/h2-5,8H,6-7,14H2,1H3
InChIKeyWPCRIJKQRSOFFC-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.62
Rot. Bonds2

About 2-(5-methylpyrimido[5,4-b]indol-4-yl)ethanamine

2-(5-methylpyrimido[5,4-b]indol-4-yl)ethanamine (PubChem CID 83850078) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(5-methylpyrimido[5,4-b]indol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methylpyrimido[5,4-b]indol-4-yl)ethanamine
PubChem CID83850078
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name2-(5-methylpyrimido[5,4-b]indol-4-yl)ethanamine
SMILESCn1c2ccccc2c2ncnc(CCN)c21
InChIInChI=1S/C13H14N4/c1-17-11-5-3-2-4-9(11)12-13(17)10(6-7-14)15-8-16-12/h2-5,8H,6-7,14H2,1H3
InChIKeyWPCRIJKQRSOFFC-UHFFFAOYSA-N
XLogP1.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrimido[5,4-b]indol-4-yl)ethanamine?
The IUPAC name of 2-(5-methylpyrimido[5,4-b]indol-4-yl)ethanamine (CID 83850078) is 2-(5-methylpyrimido[5,4-b]indol-4-yl)ethanamine.
What is the SMILES notation for 2-(5-methylpyrimido[5,4-b]indol-4-yl)ethanamine?
The canonical SMILES for 2-(5-methylpyrimido[5,4-b]indol-4-yl)ethanamine is Cn1c2ccccc2c2ncnc(CCN)c21.
What is the InChIKey of 2-(5-methylpyrimido[5,4-b]indol-4-yl)ethanamine?
The InChIKey is WPCRIJKQRSOFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-17-11-5-3-2-4-9(11)12-13(17)10(6-7-14)15-8-16-12/h2-5,8H,6-7,14H2,1H3.
What are the key properties of 2-(5-methylpyrimido[5,4-b]indol-4-yl)ethanamine?
2-(5-methylpyrimido[5,4-b]indol-4-yl)ethanamine has a molecular weight of 226.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrimido[5,4-b]indol-4-yl)ethanamine is sourced from PubChem (CID 83850078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).