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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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).