3-(3-chloropropyl)-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione

C15H17ClN2O2 — CID 54254183

IUPAC3-(3-chloropropyl)-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione
SMILESCc1ccccc1Cn1ccc(=O)n(CCCCl)c1=O
InChIInChI=1S/C15H17ClN2O2/c1-12-5-2-3-6-13(12)11-17-10-7-14(19)18(15(17)20)9-4-8-16/h2-3,5-7,10H,4,8-9,11H2,1H3
InChIKeyQYVXXFNQJMMUKM-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.00
Rot. Bonds5

About 3-(3-chloropropyl)-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione

3-(3-chloropropyl)-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 54254183) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-(3-chloropropyl)-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-chloropropyl)-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione
PubChem CID54254183
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-(3-chloropropyl)-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione
SMILESCc1ccccc1Cn1ccc(=O)n(CCCCl)c1=O
InChIInChI=1S/C15H17ClN2O2/c1-12-5-2-3-6-13(12)11-17-10-7-14(19)18(15(17)20)9-4-8-16/h2-3,5-7,10H,4,8-9,11H2,1H3
InChIKeyQYVXXFNQJMMUKM-UHFFFAOYSA-N
XLogP2.00
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropropyl)-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 3-(3-chloropropyl)-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione (CID 54254183) is 3-(3-chloropropyl)-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-chloropropyl)-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-chloropropyl)-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione is Cc1ccccc1Cn1ccc(=O)n(CCCCl)c1=O.
What is the InChIKey of 3-(3-chloropropyl)-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is QYVXXFNQJMMUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-12-5-2-3-6-13(12)11-17-10-7-14(19)18(15(17)20)9-4-8-16/h2-3,5-7,10H,4,8-9,11H2,1H3.
What are the key properties of 3-(3-chloropropyl)-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione?
3-(3-chloropropyl)-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 292.77 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropropyl)-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 54254183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).