N-[2-(2-fluorophenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine

C18H15FN4 — CID 945268

IUPACN-[2-(2-fluorophenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
SMILESFc1ccccc1CCNc1ncnc2c1[nH]c1ccccc12
InChIInChI=1S/C18H15FN4/c19-14-7-3-1-5-12(14)9-10-20-18-17-16(21-11-22-18)13-6-2-4-8-15(13)23-17/h1-8,11,23H,9-10H2,(H,20,21,22)
InChIKeyRRHJMNOPSCZDSD-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.90
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine

N-[2-(2-fluorophenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 945268) has the molecular formula C18H15FN4 and a molecular weight of 306.34 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID945268
Molecular FormulaC18H15FN4
Molecular Weight306.34 g/mol
Exact Mass306.13
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
SMILESFc1ccccc1CCNc1ncnc2c1[nH]c1ccccc12
InChIInChI=1S/C18H15FN4/c19-14-7-3-1-5-12(14)9-10-20-18-17-16(21-11-22-18)13-6-2-4-8-15(13)23-17/h1-8,11,23H,9-10H2,(H,20,21,22)
InChIKeyRRHJMNOPSCZDSD-UHFFFAOYSA-N
XLogP3.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine (CID 945268) is N-[2-(2-fluorophenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine is Fc1ccccc1CCNc1ncnc2c1[nH]c1ccccc12.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is RRHJMNOPSCZDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4/c19-14-7-3-1-5-12(14)9-10-20-18-17-16(21-11-22-18)13-6-2-4-8-15(13)23-17/h1-8,11,23H,9-10H2,(H,20,21,22).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine?
N-[2-(2-fluorophenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 306.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 945268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).