4-(4-chloronaphthalen-1-yl)oxy-5-methoxy-2-pyridin-2-ylpyrimidine

C20H14ClN3O2 — CID 1474148

IUPAC4-(4-chloronaphthalen-1-yl)oxy-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C20H14ClN3O2/c1-25-18-12-23-19(16-8-4-5-11-22-16)24-20(18)26-17-10-9-15(21)13-6-2-3-7-14(13)17/h2-12H,1H3
InChIKeyDFUSOVKMCNZCRI-UHFFFAOYSA-N
MW363.80 g/mol
LogP5.15
Rot. Bonds4

About 4-(4-chloronaphthalen-1-yl)oxy-5-methoxy-2-pyridin-2-ylpyrimidine

4-(4-chloronaphthalen-1-yl)oxy-5-methoxy-2-pyridin-2-ylpyrimidine (PubChem CID 1474148) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 4-(4-chloronaphthalen-1-yl)oxy-5-methoxy-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(4-chloronaphthalen-1-yl)oxy-5-methoxy-2-pyridin-2-ylpyrimidine
PubChem CID1474148
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name4-(4-chloronaphthalen-1-yl)oxy-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C20H14ClN3O2/c1-25-18-12-23-19(16-8-4-5-11-22-16)24-20(18)26-17-10-9-15(21)13-6-2-3-7-14(13)17/h2-12H,1H3
InChIKeyDFUSOVKMCNZCRI-UHFFFAOYSA-N
XLogP5.15
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.80
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloronaphthalen-1-yl)oxy-5-methoxy-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(4-chloronaphthalen-1-yl)oxy-5-methoxy-2-pyridin-2-ylpyrimidine (CID 1474148) is 4-(4-chloronaphthalen-1-yl)oxy-5-methoxy-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(4-chloronaphthalen-1-yl)oxy-5-methoxy-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(4-chloronaphthalen-1-yl)oxy-5-methoxy-2-pyridin-2-ylpyrimidine is COc1cnc(-c2ccccn2)nc1Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of 4-(4-chloronaphthalen-1-yl)oxy-5-methoxy-2-pyridin-2-ylpyrimidine?
The InChIKey is DFUSOVKMCNZCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-25-18-12-23-19(16-8-4-5-11-22-16)24-20(18)26-17-10-9-15(21)13-6-2-3-7-14(13)17/h2-12H,1H3.
What are the key properties of 4-(4-chloronaphthalen-1-yl)oxy-5-methoxy-2-pyridin-2-ylpyrimidine?
4-(4-chloronaphthalen-1-yl)oxy-5-methoxy-2-pyridin-2-ylpyrimidine has a molecular weight of 363.80 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloronaphthalen-1-yl)oxy-5-methoxy-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 1474148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).