4-ethenyl-6-(3-fluorophenyl)-8-methoxy-2-pyrimidin-5-ylquinazoline

C21H15FN4O — CID 123828376

IUPAC4-ethenyl-6-(3-fluorophenyl)-8-methoxy-2-pyrimidin-5-ylquinazoline
SMILESC=Cc1nc(-c2cncnc2)nc2c(OC)cc(-c3cccc(F)c3)cc12
InChIInChI=1S/C21H15FN4O/c1-3-18-17-8-14(13-5-4-6-16(22)7-13)9-19(27-2)20(17)26-21(25-18)15-10-23-12-24-11-15/h3-12H,1H2,2H3
InChIKeyKPKWSPHCTLUJPC-UHFFFAOYSA-N
MW358.38 g/mol
LogP4.54
Rot. Bonds4

About 4-ethenyl-6-(3-fluorophenyl)-8-methoxy-2-pyrimidin-5-ylquinazoline

4-ethenyl-6-(3-fluorophenyl)-8-methoxy-2-pyrimidin-5-ylquinazoline (PubChem CID 123828376) has the molecular formula C21H15FN4O and a molecular weight of 358.38 g/mol. Its IUPAC name is 4-ethenyl-6-(3-fluorophenyl)-8-methoxy-2-pyrimidin-5-ylquinazoline.

Molecular Properties

Compound Name4-ethenyl-6-(3-fluorophenyl)-8-methoxy-2-pyrimidin-5-ylquinazoline
PubChem CID123828376
Molecular FormulaC21H15FN4O
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC Name4-ethenyl-6-(3-fluorophenyl)-8-methoxy-2-pyrimidin-5-ylquinazoline
SMILESC=Cc1nc(-c2cncnc2)nc2c(OC)cc(-c3cccc(F)c3)cc12
InChIInChI=1S/C21H15FN4O/c1-3-18-17-8-14(13-5-4-6-16(22)7-13)9-19(27-2)20(17)26-21(25-18)15-10-23-12-24-11-15/h3-12H,1H2,2H3
InChIKeyKPKWSPHCTLUJPC-UHFFFAOYSA-N
XLogP4.54
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Vuf5574
CID 4046493
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinazolin-2-amine
CID 10068521
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10316876
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinolin-2-amine
CID 16747960
n-Methyl-8-({6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinolin-2-amine
CID 16748211
Dibenzo[c,f][2,7]naphthyridine, 12
CID 17754398
Dibenzo[c,f][2,7]naphthyridine, 16
CID 23648181
6-(3-Methoxyphenyl)quinazolin-4-amine
CID 90054634
6-[(2-Methoxy-4-phenyl-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 472848
2,4-difluoro-N-[2-methoxy-5-(8-methoxy-4-methylquinazolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 135197572
6-Ethyl-5-{3-[3-(Isoquinolin-5-Yl)-5-Methoxyphenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 71560296
4-(2-Azanyl-8-methoxy-quinazolin-6-yl)phenol
CID 162423120

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-6-(3-fluorophenyl)-8-methoxy-2-pyrimidin-5-ylquinazoline?
The IUPAC name of 4-ethenyl-6-(3-fluorophenyl)-8-methoxy-2-pyrimidin-5-ylquinazoline (CID 123828376) is 4-ethenyl-6-(3-fluorophenyl)-8-methoxy-2-pyrimidin-5-ylquinazoline.
What is the SMILES notation for 4-ethenyl-6-(3-fluorophenyl)-8-methoxy-2-pyrimidin-5-ylquinazoline?
The canonical SMILES for 4-ethenyl-6-(3-fluorophenyl)-8-methoxy-2-pyrimidin-5-ylquinazoline is C=Cc1nc(-c2cncnc2)nc2c(OC)cc(-c3cccc(F)c3)cc12.
What is the InChIKey of 4-ethenyl-6-(3-fluorophenyl)-8-methoxy-2-pyrimidin-5-ylquinazoline?
The InChIKey is KPKWSPHCTLUJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O/c1-3-18-17-8-14(13-5-4-6-16(22)7-13)9-19(27-2)20(17)26-21(25-18)15-10-23-12-24-11-15/h3-12H,1H2,2H3.
What are the key properties of 4-ethenyl-6-(3-fluorophenyl)-8-methoxy-2-pyrimidin-5-ylquinazoline?
4-ethenyl-6-(3-fluorophenyl)-8-methoxy-2-pyrimidin-5-ylquinazoline has a molecular weight of 358.38 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-6-(3-fluorophenyl)-8-methoxy-2-pyrimidin-5-ylquinazoline is sourced from PubChem (CID 123828376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).