7-amino-3-benzyl-1-(3,5-difluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione

C20H14F2N4O2 — CID 21198154

IUPAC7-amino-3-benzyl-1-(3,5-difluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESNc1ccc2c(=O)n(Cc3ccccc3)c(=O)n(-c3cc(F)cc(F)c3)c2n1
InChIInChI=1S/C20H14F2N4O2/c21-13-8-14(22)10-15(9-13)26-18-16(6-7-17(23)24-18)19(27)25(20(26)28)11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,23,24)
InChIKeyNQBQWHQHVMOEIY-UHFFFAOYSA-N
MW380.35 g/mol
LogP2.46
Rot. Bonds3

About 7-amino-3-benzyl-1-(3,5-difluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione

7-amino-3-benzyl-1-(3,5-difluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 21198154) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is 7-amino-3-benzyl-1-(3,5-difluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-amino-3-benzyl-1-(3,5-difluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID21198154
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC Name7-amino-3-benzyl-1-(3,5-difluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESNc1ccc2c(=O)n(Cc3ccccc3)c(=O)n(-c3cc(F)cc(F)c3)c2n1
InChIInChI=1S/C20H14F2N4O2/c21-13-8-14(22)10-15(9-13)26-18-16(6-7-17(23)24-18)19(27)25(20(26)28)11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,23,24)
InChIKeyNQBQWHQHVMOEIY-UHFFFAOYSA-N
XLogP2.46
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-benzyl-1-(3,5-difluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-amino-3-benzyl-1-(3,5-difluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 21198154) is 7-amino-3-benzyl-1-(3,5-difluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-amino-3-benzyl-1-(3,5-difluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-amino-3-benzyl-1-(3,5-difluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is Nc1ccc2c(=O)n(Cc3ccccc3)c(=O)n(-c3cc(F)cc(F)c3)c2n1.
What is the InChIKey of 7-amino-3-benzyl-1-(3,5-difluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is NQBQWHQHVMOEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c21-13-8-14(22)10-15(9-13)26-18-16(6-7-17(23)24-18)19(27)25(20(26)28)11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,23,24).
What are the key properties of 7-amino-3-benzyl-1-(3,5-difluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
7-amino-3-benzyl-1-(3,5-difluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 380.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-benzyl-1-(3,5-difluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 21198154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).