6-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione

C19H18ClN3O3 — CID 86764101

IUPAC6-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1cnc(Oc2ccc(-c3c(C)c(=O)[nH]c(=O)n3C)c(C)c2)c(Cl)c1
InChIInChI=1S/C19H18ClN3O3/c1-10-7-15(20)18(21-9-10)26-13-5-6-14(11(2)8-13)16-12(3)17(24)22-19(25)23(16)4/h5-9H,1-4H3,(H,22,24,25)
InChIKeyQDDZCKNTJUFORZ-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.51
Rot. Bonds3

About 6-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione

6-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione (PubChem CID 86764101) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 6-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione
PubChem CID86764101
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name6-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1cnc(Oc2ccc(-c3c(C)c(=O)[nH]c(=O)n3C)c(C)c2)c(Cl)c1
InChIInChI=1S/C19H18ClN3O3/c1-10-7-15(20)18(21-9-10)26-13-5-6-14(11(2)8-13)16-12(3)17(24)22-19(25)23(16)4/h5-9H,1-4H3,(H,22,24,25)
InChIKeyQDDZCKNTJUFORZ-UHFFFAOYSA-N
XLogP3.51
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione (CID 86764101) is 6-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione is Cc1cnc(Oc2ccc(-c3c(C)c(=O)[nH]c(=O)n3C)c(C)c2)c(Cl)c1.
What is the InChIKey of 6-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione?
The InChIKey is QDDZCKNTJUFORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-10-7-15(20)18(21-9-10)26-13-5-6-14(11(2)8-13)16-12(3)17(24)22-19(25)23(16)4/h5-9H,1-4H3,(H,22,24,25).
What are the key properties of 6-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione?
6-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione has a molecular weight of 371.82 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 86764101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).