2,4-diamino-5,8-difluoro-7-phenoxyquinazoline-6-carbonitrile

C15H9F2N5O — CID 25226404

IUPAC2,4-diamino-5,8-difluoro-7-phenoxyquinazoline-6-carbonitrile
SMILESN#Cc1c(Oc2ccccc2)c(F)c2nc(N)nc(N)c2c1F
InChIInChI=1S/C15H9F2N5O/c16-10-8(6-18)13(23-7-4-2-1-3-5-7)11(17)12-9(10)14(19)22-15(20)21-12/h1-5H,(H4,19,20,21,22)
InChIKeyGUZBOKBMVWWKEJ-UHFFFAOYSA-N
MW313.27 g/mol
LogP2.74
Rot. Bonds2

About 2,4-diamino-5,8-difluoro-7-phenoxyquinazoline-6-carbonitrile

2,4-diamino-5,8-difluoro-7-phenoxyquinazoline-6-carbonitrile (PubChem CID 25226404) has the molecular formula C15H9F2N5O and a molecular weight of 313.27 g/mol. Its IUPAC name is 2,4-diamino-5,8-difluoro-7-phenoxyquinazoline-6-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-5,8-difluoro-7-phenoxyquinazoline-6-carbonitrile
PubChem CID25226404
Molecular FormulaC15H9F2N5O
Molecular Weight313.27 g/mol
Exact Mass313.08
IUPAC Name2,4-diamino-5,8-difluoro-7-phenoxyquinazoline-6-carbonitrile
SMILESN#Cc1c(Oc2ccccc2)c(F)c2nc(N)nc(N)c2c1F
InChIInChI=1S/C15H9F2N5O/c16-10-8(6-18)13(23-7-4-2-1-3-5-7)11(17)12-9(10)14(19)22-15(20)21-12/h1-5H,(H4,19,20,21,22)
InChIKeyGUZBOKBMVWWKEJ-UHFFFAOYSA-N
XLogP2.74
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-difluoro-4-methoxy-5-phenoxybenzene-1,2-dicarbonitrile
CID 139615505
5-phenoxyquinazoline-2,4-diamine
CID 4308266
2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 163196347
ethane;4-fluoro-2-phenoxy-5-phenylbenzene-1,3-dicarbonitrile
CID 144713868
1,2,4,5-tetrafluoro-3,6-diphenoxybenzene
CID 679714
5-phenoxytriazine-4,6-diamine
CID 154264389
2,4-diamino-6-(2-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile
CID 169397318
2,4-diamino-6-(2,3-difluoro-6-hydroxyphenyl)pyrimidine-5-carbonitrile
CID 169398963
6-amino-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile
CID 142295776
2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396261
2,4-diamino-6-(6-chloro-2,3-difluorophenyl)pyrimidine-5-carbonitrile
CID 169396291
2,4-diamino-6-(3-bromo-2,4-difluorophenyl)pyrimidine-5-carbonitrile
CID 169397709

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5,8-difluoro-7-phenoxyquinazoline-6-carbonitrile?
The IUPAC name of 2,4-diamino-5,8-difluoro-7-phenoxyquinazoline-6-carbonitrile (CID 25226404) is 2,4-diamino-5,8-difluoro-7-phenoxyquinazoline-6-carbonitrile.
What is the SMILES notation for 2,4-diamino-5,8-difluoro-7-phenoxyquinazoline-6-carbonitrile?
The canonical SMILES for 2,4-diamino-5,8-difluoro-7-phenoxyquinazoline-6-carbonitrile is N#Cc1c(Oc2ccccc2)c(F)c2nc(N)nc(N)c2c1F.
What is the InChIKey of 2,4-diamino-5,8-difluoro-7-phenoxyquinazoline-6-carbonitrile?
The InChIKey is GUZBOKBMVWWKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N5O/c16-10-8(6-18)13(23-7-4-2-1-3-5-7)11(17)12-9(10)14(19)22-15(20)21-12/h1-5H,(H4,19,20,21,22).
What are the key properties of 2,4-diamino-5,8-difluoro-7-phenoxyquinazoline-6-carbonitrile?
2,4-diamino-5,8-difluoro-7-phenoxyquinazoline-6-carbonitrile has a molecular weight of 313.27 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5,8-difluoro-7-phenoxyquinazoline-6-carbonitrile is sourced from PubChem (CID 25226404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).