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

C19H17Cl2N3O2 — CID 52943695

IUPAC1-[(2,4-dichlorophenyl)methyl]-5-(2-phenylethylamino)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Cl)cc2Cl)cc1NCCc1ccccc1
InChIInChI=1S/C19H17Cl2N3O2/c20-15-7-6-14(16(21)10-15)11-24-12-17(18(25)23-19(24)26)22-9-8-13-4-2-1-3-5-13/h1-7,10,12,22H,8-9,11H2,(H,23,25,26)
InChIKeyDHMWWVKIHXIDBM-UHFFFAOYSA-N
MW390.27 g/mol
LogP3.55
Rot. Bonds6

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

1-[(2,4-dichlorophenyl)methyl]-5-(2-phenylethylamino)pyrimidine-2,4-dione (PubChem CID 52943695) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-5-(2-phenylethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-5-(2-phenylethylamino)pyrimidine-2,4-dione
PubChem CID52943695
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-5-(2-phenylethylamino)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Cl)cc2Cl)cc1NCCc1ccccc1
InChIInChI=1S/C19H17Cl2N3O2/c20-15-7-6-14(16(21)10-15)11-24-12-17(18(25)23-19(24)26)22-9-8-13-4-2-1-3-5-13/h1-7,10,12,22H,8-9,11H2,(H,23,25,26)
InChIKeyDHMWWVKIHXIDBM-UHFFFAOYSA-N
XLogP3.55
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5-(2-phenylethylamino)pyrimidine-2,4-dione?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5-(2-phenylethylamino)pyrimidine-2,4-dione (CID 52943695) is 1-[(2,4-dichlorophenyl)methyl]-5-(2-phenylethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-5-(2-phenylethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-5-(2-phenylethylamino)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccc(Cl)cc2Cl)cc1NCCc1ccccc1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-5-(2-phenylethylamino)pyrimidine-2,4-dione?
The InChIKey is DHMWWVKIHXIDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c20-15-7-6-14(16(21)10-15)11-24-12-17(18(25)23-19(24)26)22-9-8-13-4-2-1-3-5-13/h1-7,10,12,22H,8-9,11H2,(H,23,25,26).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-5-(2-phenylethylamino)pyrimidine-2,4-dione?
1-[(2,4-dichlorophenyl)methyl]-5-(2-phenylethylamino)pyrimidine-2,4-dione has a molecular weight of 390.27 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-5-(2-phenylethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 52943695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).