2-N-(3-fluorophenyl)quinazoline-2,4-diamine

C14H11FN4 — CID 653020

IUPAC2-N-(3-fluorophenyl)quinazoline-2,4-diamine
SMILESNc1nc(Nc2cccc(F)c2)nc2ccccc12
InChIInChI=1S/C14H11FN4/c15-9-4-3-5-10(8-9)17-14-18-12-7-2-1-6-11(12)13(16)19-14/h1-8H,(H3,16,17,18,19)
InChIKeyGMSVPBCCVMQLIL-UHFFFAOYSA-N
MW254.27 g/mol
LogP3.09
Rot. Bonds2

About 2-N-(3-fluorophenyl)quinazoline-2,4-diamine

2-N-(3-fluorophenyl)quinazoline-2,4-diamine (PubChem CID 653020) has the molecular formula C14H11FN4 and a molecular weight of 254.27 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)quinazoline-2,4-diamine
PubChem CID653020
Molecular FormulaC14H11FN4
Molecular Weight254.27 g/mol
Exact Mass254.10
IUPAC Name2-N-(3-fluorophenyl)quinazoline-2,4-diamine
SMILESNc1nc(Nc2cccc(F)c2)nc2ccccc12
InChIInChI=1S/C14H11FN4/c15-9-4-3-5-10(8-9)17-14-18-12-7-2-1-6-11(12)13(16)19-14/h1-8H,(H3,16,17,18,19)
InChIKeyGMSVPBCCVMQLIL-UHFFFAOYSA-N
XLogP3.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)quinazoline-2,4-diamine (CID 653020) is 2-N-(3-fluorophenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)quinazoline-2,4-diamine is Nc1nc(Nc2cccc(F)c2)nc2ccccc12.
What is the InChIKey of 2-N-(3-fluorophenyl)quinazoline-2,4-diamine?
The InChIKey is GMSVPBCCVMQLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4/c15-9-4-3-5-10(8-9)17-14-18-12-7-2-1-6-11(12)13(16)19-14/h1-8H,(H3,16,17,18,19).
What are the key properties of 2-N-(3-fluorophenyl)quinazoline-2,4-diamine?
2-N-(3-fluorophenyl)quinazoline-2,4-diamine has a molecular weight of 254.27 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 653020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).