3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione

C14H15ClN2O2 — CID 55239205

IUPAC3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C14H15ClN2O2/c1-2-8-16-9-7-13(18)17(14(16)19)10-11-3-5-12(15)6-4-11/h3-7,9H,2,8,10H2,1H3
InChIKeyRWBASJHVSYUPGA-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.12
Rot. Bonds4

About 3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione

3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione (PubChem CID 55239205) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione
PubChem CID55239205
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C14H15ClN2O2/c1-2-8-16-9-7-13(18)17(14(16)19)10-11-3-5-12(15)6-4-11/h3-7,9H,2,8,10H2,1H3
InChIKeyRWBASJHVSYUPGA-UHFFFAOYSA-N
XLogP2.12
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide
CID 63811248
3-[(4-chlorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 60697647
3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione
CID 106934163
3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 63812060
3-[(2-amino-6-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 63799793
3-[(6-amino-3-chloro-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione
CID 63810238
1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione
CID 63810291
3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione
CID 63811890
3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 64770001
1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione
CID 10765948
1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 63811395
3-[(3-bromothiophen-2-yl)methyl]-1-propylpyrimidine-2,4-dione
CID 63801388

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione (CID 55239205) is 3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is RWBASJHVSYUPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-2-8-16-9-7-13(18)17(14(16)19)10-11-3-5-12(15)6-4-11/h3-7,9H,2,8,10H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione?
3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 278.74 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 55239205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).