5-chloro-1-[(2R)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrimidine-2,4-dione

C14H15ClN2O3 — CID 95904207

IUPAC5-chloro-1-[(2R)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrimidine-2,4-dione
SMILESCc1ccc(C)c([C@@H](O)Cn2cc(Cl)c(=O)[nH]c2=O)c1
InChIInChI=1S/C14H15ClN2O3/c1-8-3-4-9(2)10(5-8)12(18)7-17-6-11(15)13(19)16-14(17)20/h3-6,12,18H,7H2,1-2H3,(H,16,19,20)/t12-/m0/s1
InChIKeySZJGICFXLUJVOJ-LBPRGKRZSA-N
MW294.74 g/mol
LogP1.54
Rot. Bonds3

About 5-chloro-1-[(2R)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrimidine-2,4-dione

5-chloro-1-[(2R)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrimidine-2,4-dione (PubChem CID 95904207) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 5-chloro-1-[(2R)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[(2R)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrimidine-2,4-dione
PubChem CID95904207
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name5-chloro-1-[(2R)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrimidine-2,4-dione
SMILESCc1ccc(C)c([C@@H](O)Cn2cc(Cl)c(=O)[nH]c2=O)c1
InChIInChI=1S/C14H15ClN2O3/c1-8-3-4-9(2)10(5-8)12(18)7-17-6-11(15)13(19)16-14(17)20/h3-6,12,18H,7H2,1-2H3,(H,16,19,20)/t12-/m0/s1
InChIKeySZJGICFXLUJVOJ-LBPRGKRZSA-N
XLogP1.54
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2R)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[(2R)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrimidine-2,4-dione (CID 95904207) is 5-chloro-1-[(2R)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[(2R)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[(2R)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrimidine-2,4-dione is Cc1ccc(C)c([C@@H](O)Cn2cc(Cl)c(=O)[nH]c2=O)c1.
What is the InChIKey of 5-chloro-1-[(2R)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrimidine-2,4-dione?
The InChIKey is SZJGICFXLUJVOJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-8-3-4-9(2)10(5-8)12(18)7-17-6-11(15)13(19)16-14(17)20/h3-6,12,18H,7H2,1-2H3,(H,16,19,20)/t12-/m0/s1.
What are the key properties of 5-chloro-1-[(2R)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrimidine-2,4-dione?
5-chloro-1-[(2R)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrimidine-2,4-dione has a molecular weight of 294.74 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2R)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 95904207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).