4-(2-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine

C16H12ClN3O2 — CID 3846667

IUPAC4-(2-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Oc1ccccc1Cl
InChIInChI=1S/C16H12ClN3O2/c1-21-14-10-19-15(12-7-4-5-9-18-12)20-16(14)22-13-8-3-2-6-11(13)17/h2-10H,1H3
InChIKeyQFEGXSKDDPDKHS-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.99
Rot. Bonds4

About 4-(2-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine

4-(2-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine (PubChem CID 3846667) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine
PubChem CID3846667
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name4-(2-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Oc1ccccc1Cl
InChIInChI=1S/C16H12ClN3O2/c1-21-14-10-19-15(12-7-4-5-9-18-12)20-16(14)22-13-8-3-2-6-11(13)17/h2-10H,1H3
InChIKeyQFEGXSKDDPDKHS-UHFFFAOYSA-N
XLogP3.99
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-Difluorophenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
CID 1470718
4-(4-Chlorophenoxy)-6-methyl-2-(2-pyridyl)pyrimidine
CID 2725932
4-(4-Chlorophenoxy)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 1475725
4-(2-Chlorophenoxy)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 1478446
5-Methoxy-4-phenoxy-2-(2-pyridinyl)pyrimidine
CID 3849120
4,6-Dichloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine
CID 10545706
4-(2,6-Dimethylphenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
CID 1474153
4-(3,5-Dichlorophenoxy)-6-methyl-2-pyridin-2-ylpyrimidine
CID 2725931
5-Methoxy-4-(4-methoxyphenoxy)-2-(2-pyridinyl)pyrimidine
CID 3343835
4-(4-Chlorophenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
CID 3847340
4-[4-(Tert-butyl)phenoxy]-2-(2-pyridinyl)-5-pyrimidinyl methyl ether
CID 3848313
2-(2-Chlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
CID 45272485

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(2-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine (CID 3846667) is 4-(2-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(2-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(2-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine is COc1cnc(-c2ccccn2)nc1Oc1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
The InChIKey is QFEGXSKDDPDKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c1-21-14-10-19-15(12-7-4-5-9-18-12)20-16(14)22-13-8-3-2-6-11(13)17/h2-10H,1H3.
What are the key properties of 4-(2-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
4-(2-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine has a molecular weight of 313.74 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 3846667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).