2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C14H14FN3 — CID 62191740

IUPAC2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(-c2ccc(F)cc2)nc2c1CCCC2
InChIInChI=1S/C14H14FN3/c15-10-7-5-9(6-8-10)14-17-12-4-2-1-3-11(12)13(16)18-14/h5-8H,1-4H2,(H2,16,17,18)
InChIKeyZILGZTHSUXLWAD-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.74
Rot. Bonds1

About 2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine

2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 62191740) has the molecular formula C14H14FN3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID62191740
Molecular FormulaC14H14FN3
Molecular Weight243.28 g/mol
Exact Mass243.12
IUPAC Name2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(-c2ccc(F)cc2)nc2c1CCCC2
InChIInChI=1S/C14H14FN3/c15-10-7-5-9(6-8-10)14-17-12-4-2-1-3-11(12)13(16)18-14/h5-8H,1-4H2,(H2,16,17,18)
InChIKeyZILGZTHSUXLWAD-UHFFFAOYSA-N
XLogP2.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351933
2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62203690
[2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62251407
2-(4-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79979881
4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol
CID 136927531
2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107922821
2-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 64767789
5-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine
CID 25232737
2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 139665129
2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114330940
2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 105410395
2-(2-methylquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 105379360

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 62191740) is 2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine is Nc1nc(-c2ccc(F)cc2)nc2c1CCCC2.
What is the InChIKey of 2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is ZILGZTHSUXLWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3/c15-10-7-5-9(6-8-10)14-17-12-4-2-1-3-11(12)13(16)18-14/h5-8H,1-4H2,(H2,16,17,18).
What are the key properties of 2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 243.28 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 62191740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).