6-amino-1-cyclopropyl-5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione

C23H17F2N5O4S — CID 24518374

IUPAC6-amino-1-cyclopropyl-5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
SMILESNc1c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)c(=O)[nH]c(=O)n1C1CC1
InChIInChI=1S/C23H17F2N5O4S/c24-11-5-8-16(14(25)9-11)30-21(33)13-3-1-2-4-15(13)27-23(30)35-10-17(31)18-19(26)29(12-6-7-12)22(34)28-20(18)32/h1-5,8-9,12H,6-7,10,26H2,(H,28,32,34)
InChIKeyGTUNNBVACPLTLI-UHFFFAOYSA-N
MW497.48 g/mol
LogP2.41
Rot. Bonds6

About 6-amino-1-cyclopropyl-5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione

6-amino-1-cyclopropyl-5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione (PubChem CID 24518374) has the molecular formula C23H17F2N5O4S and a molecular weight of 497.48 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
PubChem CID24518374
Molecular FormulaC23H17F2N5O4S
Molecular Weight497.48 g/mol
Exact Mass497.10
IUPAC Name6-amino-1-cyclopropyl-5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
SMILESNc1c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)c(=O)[nH]c(=O)n1C1CC1
InChIInChI=1S/C23H17F2N5O4S/c24-11-5-8-16(14(25)9-11)30-21(33)13-3-1-2-4-15(13)27-23(30)35-10-17(31)18-19(26)29(12-6-7-12)22(34)28-20(18)32/h1-5,8-9,12H,6-7,10,26H2,(H,28,32,34)
InChIKeyGTUNNBVACPLTLI-UHFFFAOYSA-N
XLogP2.41
TPSA132.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-amino-1-cyclopropyl-5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-cyclopropyl-5-[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24518376
6-amino-1-cyclopropyl-5-[2-[3-[(2R)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 40814465
3-(2,4-difluorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylquinazolin-4-one
CID 2414993
3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 32698535
6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 9360293
6-amino-5-[2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-1-cyclopropylpyrimidine-2,4-dione
CID 24521243
3-(2,4-difluorophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one
CID 2365295
6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 25341475
2-(cyclohexylmethylsulfanyl)-3-(2,4-difluorophenyl)quinazolin-4-one
CID 7845486
3-cyclopropyl-2-[2-(2,5-difluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 8980370
3-(2,4-difluorophenyl)-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 24618176
2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-(2,4-difluorophenyl)quinazolin-4-one
CID 4812968

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-cyclopropyl-5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-cyclopropyl-5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione (CID 24518374) is 6-amino-1-cyclopropyl-5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-cyclopropyl-5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-cyclopropyl-5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione is Nc1c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)c(=O)[nH]c(=O)n1C1CC1.
What is the InChIKey of 6-amino-1-cyclopropyl-5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
The InChIKey is GTUNNBVACPLTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O4S/c24-11-5-8-16(14(25)9-11)30-21(33)13-3-1-2-4-15(13)27-23(30)35-10-17(31)18-19(26)29(12-6-7-12)22(34)28-20(18)32/h1-5,8-9,12H,6-7,10,26H2,(H,28,32,34).
What are the key properties of 6-amino-1-cyclopropyl-5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
6-amino-1-cyclopropyl-5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione has a molecular weight of 497.48 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopropyl-5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 24518374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).