5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione

C14H13ClN2O3 — CID 115946019

IUPAC5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2CC2)c(O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O3/c15-10-5-3-9(4-6-10)11-12(18)16-14(20)17(13(11)19)7-8-1-2-8/h3-6,8,19H,1-2,7H2,(H,16,18,20)
InChIKeyWQUDYJLKTZSCQE-UHFFFAOYSA-N
MW292.72 g/mol
LogP1.97
Rot. Bonds3

About 5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione

5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 115946019) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID115946019
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2CC2)c(O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O3/c15-10-5-3-9(4-6-10)11-12(18)16-14(20)17(13(11)19)7-8-1-2-8/h3-6,8,19H,1-2,7H2,(H,16,18,20)
InChIKeyWQUDYJLKTZSCQE-UHFFFAOYSA-N
XLogP1.97
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115946756
6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione
CID 115947976
5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione
CID 115946316
5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 115947652
5-(3-chlorophenyl)-1-(2,2-dimethylpropyl)-6-hydroxypyrimidine-2,4-dione
CID 115947031
1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
1-but-3-ynyl-5-(3-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 115948238
6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 115948074
6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione
CID 115947290
2-[amino(cyclopropyl)methyl]-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79442000
6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione
CID 115948124
1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112600003

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione (CID 115946019) is 5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(CC2CC2)c(O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is WQUDYJLKTZSCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-10-5-3-9(4-6-10)11-12(18)16-14(20)17(13(11)19)7-8-1-2-8/h3-6,8,19H,1-2,7H2,(H,16,18,20).
What are the key properties of 5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione?
5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 292.72 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 115946019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).