5-(benzylamino)-1-[(2,4-dichlorophenyl)methyl]pyrimidine-2,4-dione

C18H15Cl2N3O2 — CID 52948584

IUPAC5-(benzylamino)-1-[(2,4-dichlorophenyl)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Cl)cc2Cl)cc1NCc1ccccc1
InChIInChI=1S/C18H15Cl2N3O2/c19-14-7-6-13(15(20)8-14)10-23-11-16(17(24)22-18(23)25)21-9-12-4-2-1-3-5-12/h1-8,11,21H,9-10H2,(H,22,24,25)
InChIKeyMCIRGCSQLYHOMS-UHFFFAOYSA-N
MW376.24 g/mol
LogP3.50
Rot. Bonds5

About 5-(benzylamino)-1-[(2,4-dichlorophenyl)methyl]pyrimidine-2,4-dione

5-(benzylamino)-1-[(2,4-dichlorophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 52948584) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 5-(benzylamino)-1-[(2,4-dichlorophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(benzylamino)-1-[(2,4-dichlorophenyl)methyl]pyrimidine-2,4-dione
PubChem CID52948584
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name5-(benzylamino)-1-[(2,4-dichlorophenyl)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Cl)cc2Cl)cc1NCc1ccccc1
InChIInChI=1S/C18H15Cl2N3O2/c19-14-7-6-13(15(20)8-14)10-23-11-16(17(24)22-18(23)25)21-9-12-4-2-1-3-5-12/h1-8,11,21H,9-10H2,(H,22,24,25)
InChIKeyMCIRGCSQLYHOMS-UHFFFAOYSA-N
XLogP3.50
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-1-[(2,4-dichlorophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-(benzylamino)-1-[(2,4-dichlorophenyl)methyl]pyrimidine-2,4-dione (CID 52948584) is 5-(benzylamino)-1-[(2,4-dichlorophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(benzylamino)-1-[(2,4-dichlorophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-(benzylamino)-1-[(2,4-dichlorophenyl)methyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccc(Cl)cc2Cl)cc1NCc1ccccc1.
What is the InChIKey of 5-(benzylamino)-1-[(2,4-dichlorophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is MCIRGCSQLYHOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c19-14-7-6-13(15(20)8-14)10-23-11-16(17(24)22-18(23)25)21-9-12-4-2-1-3-5-12/h1-8,11,21H,9-10H2,(H,22,24,25).
What are the key properties of 5-(benzylamino)-1-[(2,4-dichlorophenyl)methyl]pyrimidine-2,4-dione?
5-(benzylamino)-1-[(2,4-dichlorophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 376.24 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-1-[(2,4-dichlorophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 52948584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).