2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol

C12H11FN4O — CID 2005544

IUPAC2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol
SMILESOCCNc1ncnc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C12H11FN4O/c13-7-1-2-9-8(5-7)10-11(17-9)12(14-3-4-18)16-6-15-10/h1-2,5-6,17-18H,3-4H2,(H,14,15,16)
InChIKeyWILZZOKTRRSCPG-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.65
Rot. Bonds3

About 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol

2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol (PubChem CID 2005544) has the molecular formula C12H11FN4O and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol
PubChem CID2005544
Molecular FormulaC12H11FN4O
Molecular Weight246.24 g/mol
Exact Mass246.09
IUPAC Name2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol
SMILESOCCNc1ncnc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C12H11FN4O/c13-7-1-2-9-8(5-7)10-11(17-9)12(14-3-4-18)16-6-15-10/h1-2,5-6,17-18H,3-4H2,(H,14,15,16)
InChIKeyWILZZOKTRRSCPG-UHFFFAOYSA-N
XLogP1.65
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-amine
CID 2009604
8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 3553984
N-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 3799067
8-chloro-N-(2-piperidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 7639746
N-pentyl-5H-pyrimido[5,4-b]indol-4-amine
CID 2018302
N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 944182
N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 2026875
8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 939389
N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 943137
8-chloro-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 944862
N-(4-fluorophenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
CID 46395820
N',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine
CID 57412102

Frequently Asked Questions

What is the IUPAC name of 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol?
The IUPAC name of 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol (CID 2005544) is 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol?
The canonical SMILES for 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol is OCCNc1ncnc2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol?
The InChIKey is WILZZOKTRRSCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c13-7-1-2-9-8(5-7)10-11(17-9)12(14-3-4-18)16-6-15-10/h1-2,5-6,17-18H,3-4H2,(H,14,15,16).
What are the key properties of 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol?
2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol has a molecular weight of 246.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol is sourced from PubChem (CID 2005544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).