5-(benzylamino)-1-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione

C20H21N3O2 — CID 42647974

IUPAC5-(benzylamino)-1-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
SMILESCc1cc(C)cc(Cn2cc(NCc3ccccc3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C20H21N3O2/c1-14-8-15(2)10-17(9-14)12-23-13-18(19(24)22-20(23)25)21-11-16-6-4-3-5-7-16/h3-10,13,21H,11-12H2,1-2H3,(H,22,24,25)
InChIKeyHLFISNDNBPDDGX-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.81
Rot. Bonds5

About 5-(benzylamino)-1-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione

5-(benzylamino)-1-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 42647974) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-(benzylamino)-1-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(benzylamino)-1-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
PubChem CID42647974
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name5-(benzylamino)-1-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
SMILESCc1cc(C)cc(Cn2cc(NCc3ccccc3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C20H21N3O2/c1-14-8-15(2)10-17(9-14)12-23-13-18(19(24)22-20(23)25)21-11-16-6-4-3-5-7-16/h3-10,13,21H,11-12H2,1-2H3,(H,22,24,25)
InChIKeyHLFISNDNBPDDGX-UHFFFAOYSA-N
XLogP2.81
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-1-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-(benzylamino)-1-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione (CID 42647974) is 5-(benzylamino)-1-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(benzylamino)-1-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-(benzylamino)-1-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione is Cc1cc(C)cc(Cn2cc(NCc3ccccc3)c(=O)[nH]c2=O)c1.
What is the InChIKey of 5-(benzylamino)-1-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is HLFISNDNBPDDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-8-15(2)10-17(9-14)12-23-13-18(19(24)22-20(23)25)21-11-16-6-4-3-5-7-16/h3-10,13,21H,11-12H2,1-2H3,(H,22,24,25).
What are the key properties of 5-(benzylamino)-1-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione?
5-(benzylamino)-1-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 335.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-1-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 42647974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).