3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(4-fluorophenyl)quinazolin-4-one

C20H16FN5O2 — CID 137021902

IUPAC3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(4-fluorophenyl)quinazolin-4-one
SMILESNc1cc(=O)[nH]c(CCn2cnc3ccc(-c4ccc(F)cc4)cc3c2=O)n1
InChIInChI=1S/C20H16FN5O2/c21-14-4-1-12(2-5-14)13-3-6-16-15(9-13)20(28)26(11-23-16)8-7-18-24-17(22)10-19(27)25-18/h1-6,9-11H,7-8H2,(H3,22,24,25,27)
InChIKeyUWRUCFFSGWRZAW-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.11
Rot. Bonds4

About 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(4-fluorophenyl)quinazolin-4-one

3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(4-fluorophenyl)quinazolin-4-one (PubChem CID 137021902) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(4-fluorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(4-fluorophenyl)quinazolin-4-one
PubChem CID137021902
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(4-fluorophenyl)quinazolin-4-one
SMILESNc1cc(=O)[nH]c(CCn2cnc3ccc(-c4ccc(F)cc4)cc3c2=O)n1
InChIInChI=1S/C20H16FN5O2/c21-14-4-1-12(2-5-14)13-3-6-16-15(9-13)20(28)26(11-23-16)8-7-18-24-17(22)10-19(27)25-18/h1-6,9-11H,7-8H2,(H3,22,24,25,27)
InChIKeyUWRUCFFSGWRZAW-UHFFFAOYSA-N
XLogP2.11
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(4-fluorophenyl)quinazolin-4-one with MolForge

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Related Compounds

(-)-6,7,7a,8-Tetrahydroquinazolino(3',2':1,6)pyrido(2,3-b)(1,4)benzodiazepine-9,16-dione
CID 130919
ME0328
CID 135566764
Bmh-21
CID 3508054
Glycosminine
CID 135426527
3-(2-Amino-6-benzoylquinazolin-3(4H)-YL)-N-cyclohexyl-N-methylpropanamide
CID 16741238
2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone
CID 135460986
2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}quinazolin-4(3H)-one
CID 135446758
4(3H)-Quinazolinone, 2-methyl-3-phenethyl-
CID 63248
4(3H)-Quinazolinone, 2-((4-phenyl-1-piperazinyl)methyl)-
CID 135399488
4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide
CID 71811260
2-{3-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]propyl}-4(3H)-quinazolinone
CID 135440318
2-(4-Amino-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135463623

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(4-fluorophenyl)quinazolin-4-one?
The IUPAC name of 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(4-fluorophenyl)quinazolin-4-one (CID 137021902) is 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(4-fluorophenyl)quinazolin-4-one.
What is the SMILES notation for 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(4-fluorophenyl)quinazolin-4-one?
The canonical SMILES for 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(4-fluorophenyl)quinazolin-4-one is Nc1cc(=O)[nH]c(CCn2cnc3ccc(-c4ccc(F)cc4)cc3c2=O)n1.
What is the InChIKey of 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(4-fluorophenyl)quinazolin-4-one?
The InChIKey is UWRUCFFSGWRZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c21-14-4-1-12(2-5-14)13-3-6-16-15(9-13)20(28)26(11-23-16)8-7-18-24-17(22)10-19(27)25-18/h1-6,9-11H,7-8H2,(H3,22,24,25,27).
What are the key properties of 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(4-fluorophenyl)quinazolin-4-one?
3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(4-fluorophenyl)quinazolin-4-one has a molecular weight of 377.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(4-fluorophenyl)quinazolin-4-one is sourced from PubChem (CID 137021902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).