1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione

C23H18ClN3O4 — CID 171562708

IUPAC1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione
SMILESCOc1ncccc1-c1cn(-c2cc(Cl)cc(OCc3ccccc3)c2)c(=O)[nH]c1=O
InChIInChI=1S/C23H18ClN3O4/c1-30-22-19(8-5-9-25-22)20-13-27(23(29)26-21(20)28)17-10-16(24)11-18(12-17)31-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,26,28,29)
InChIKeyNOQSNAXYQOEWMK-UHFFFAOYSA-N
MW435.87 g/mol
LogP3.83
Rot. Bonds6

About 1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione

1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione (PubChem CID 171562708) has the molecular formula C23H18ClN3O4 and a molecular weight of 435.87 g/mol. Its IUPAC name is 1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione
PubChem CID171562708
Molecular FormulaC23H18ClN3O4
Molecular Weight435.87 g/mol
Exact Mass435.10
IUPAC Name1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione
SMILESCOc1ncccc1-c1cn(-c2cc(Cl)cc(OCc3ccccc3)c2)c(=O)[nH]c1=O
InChIInChI=1S/C23H18ClN3O4/c1-30-22-19(8-5-9-25-22)20-13-27(23(29)26-21(20)28)17-10-16(24)11-18(12-17)31-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,26,28,29)
InChIKeyNOQSNAXYQOEWMK-UHFFFAOYSA-N
XLogP3.83
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.87
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione
CID 115925725
8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione
CID 56855762
1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene
CID 132525104
3,9-dimethyl-8-phenylmethoxypurine-2,6-dione
CID 10684604
5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione
CID 154778624
methyl 3-chloro-5-phenylmethoxybenzoate
CID 70086004
4-(2-methoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)-2-propan-2-yl-1,3-oxazole
CID 154455192
6-ethyl-8-(2-methoxy-3-pyridinyl)-3-methyl-2H-isoquinolin-1-one
CID 90903127
1-[3-chloro-5-[(4-methoxyphenyl)methoxy]phenyl]piperazine
CID 18545431
3-(4-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92606158
2-methoxy-3-[3-methoxy-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]pyridine
CID 141089711
N-[2-(2-methoxy-3-pyridinyl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 157014793

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione (CID 171562708) is 1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione is COc1ncccc1-c1cn(-c2cc(Cl)cc(OCc3ccccc3)c2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione?
The InChIKey is NOQSNAXYQOEWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O4/c1-30-22-19(8-5-9-25-22)20-13-27(23(29)26-21(20)28)17-10-16(24)11-18(12-17)31-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,26,28,29).
What are the key properties of 1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione?
1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione has a molecular weight of 435.87 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione is sourced from PubChem (CID 171562708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).