5-(2-bromophenyl)-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C19H14BrN3O2 — CID 23935636

IUPAC5-(2-bromophenyl)-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)C(c1ccccc1Br)C=C(c1ccccc1)N2
InChIInChI=1S/C19H14BrN3O2/c20-14-9-5-4-8-12(14)13-10-15(11-6-2-1-3-7-11)21-17-16(13)18(24)23-19(25)22-17/h1-10,13H,(H3,21,22,23,24,25)
InChIKeyHKSIAPCISLTEHI-UHFFFAOYSA-N
MW396.24 g/mol
LogP3.42
Rot. Bonds2

About 5-(2-bromophenyl)-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione

5-(2-bromophenyl)-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 23935636) has the molecular formula C19H14BrN3O2 and a molecular weight of 396.24 g/mol. Its IUPAC name is 5-(2-bromophenyl)-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-bromophenyl)-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID23935636
Molecular FormulaC19H14BrN3O2
Molecular Weight396.24 g/mol
Exact Mass395.03
IUPAC Name5-(2-bromophenyl)-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)C(c1ccccc1Br)C=C(c1ccccc1)N2
InChIInChI=1S/C19H14BrN3O2/c20-14-9-5-4-8-12(14)13-10-15(11-6-2-1-3-7-11)21-17-16(13)18(24)23-19(25)22-17/h1-10,13H,(H3,21,22,23,24,25)
InChIKeyHKSIAPCISLTEHI-UHFFFAOYSA-N
XLogP3.42
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(2-bromophenyl)-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 23935636) is 5-(2-bromophenyl)-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-bromophenyl)-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-bromophenyl)-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c2c(c(=O)[nH]1)C(c1ccccc1Br)C=C(c1ccccc1)N2.
What is the InChIKey of 5-(2-bromophenyl)-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is HKSIAPCISLTEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O2/c20-14-9-5-4-8-12(14)13-10-15(11-6-2-1-3-7-11)21-17-16(13)18(24)23-19(25)22-17/h1-10,13H,(H3,21,22,23,24,25).
What are the key properties of 5-(2-bromophenyl)-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
5-(2-bromophenyl)-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 396.24 g/mol, XLogP of 3.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 23935636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).