4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine

C16H13ClN4O2 — CID 59532567

IUPAC4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine
SMILESCOc1ccccc1Oc1c(C)nc(-c2ncccn2)nc1Cl
InChIInChI=1S/C16H13ClN4O2/c1-10-13(23-12-7-4-3-6-11(12)22-2)14(17)21-16(20-10)15-18-8-5-9-19-15/h3-9H,1-2H3
InChIKeyNAZXSXBVBLOFRH-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.70
Rot. Bonds4

About 4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine

4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine (PubChem CID 59532567) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine
PubChem CID59532567
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine
SMILESCOc1ccccc1Oc1c(C)nc(-c2ncccn2)nc1Cl
InChIInChI=1S/C16H13ClN4O2/c1-10-13(23-12-7-4-3-6-11(12)22-2)14(17)21-16(20-10)15-18-8-5-9-19-15/h3-9H,1-2H3
InChIKeyNAZXSXBVBLOFRH-UHFFFAOYSA-N
XLogP3.70
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-(2-methoxyphenoxy)-6-propoxy-2-pyrimidin-2-ylpyrimidine
CID 59532565
2-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxyethyl acetate
CID 42641216
4,6-dichloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidine
CID 156768151
N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine
CID 21041380
N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethanesulfonamide
CID 139847734
(E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,6-dichlorophenyl)ethenesulfonamide
CID 11734452
N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-1-phenylbut-1-ene-2-sulfonamide
CID 54463555
N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,3,4-trifluorophenyl)ethenesulfonamide
CID 173278557
(E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-3-ylethenesulfonamide
CID 18704858
4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine
CID 87134636
2-(3-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 156704968
2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine
CID 14458749

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine?
The IUPAC name of 4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine (CID 59532567) is 4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine is COc1ccccc1Oc1c(C)nc(-c2ncccn2)nc1Cl.
What is the InChIKey of 4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine?
The InChIKey is NAZXSXBVBLOFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-10-13(23-12-7-4-3-6-11(12)22-2)14(17)21-16(20-10)15-18-8-5-9-19-15/h3-9H,1-2H3.
What are the key properties of 4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine?
4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine has a molecular weight of 328.76 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 59532567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).