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

C18H17ClN4O3 — CID 59532565

IUPAC4-chloro-5-(2-methoxyphenoxy)-6-propoxy-2-pyrimidin-2-ylpyrimidine
SMILESCCCOc1nc(-c2ncccn2)nc(Cl)c1Oc1ccccc1OC
InChIInChI=1S/C18H17ClN4O3/c1-3-11-25-18-14(26-13-8-5-4-7-12(13)24-2)15(19)22-17(23-18)16-20-9-6-10-21-16/h4-10H,3,11H2,1-2H3
InChIKeyVUDZKUUAHHLNIB-UHFFFAOYSA-N
MW372.81 g/mol
LogP4.18
Rot. Bonds7

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

4-chloro-5-(2-methoxyphenoxy)-6-propoxy-2-pyrimidin-2-ylpyrimidine (PubChem CID 59532565) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 4-chloro-5-(2-methoxyphenoxy)-6-propoxy-2-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-(2-methoxyphenoxy)-6-propoxy-2-pyrimidin-2-ylpyrimidine
PubChem CID59532565
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name4-chloro-5-(2-methoxyphenoxy)-6-propoxy-2-pyrimidin-2-ylpyrimidine
SMILESCCCOc1nc(-c2ncccn2)nc(Cl)c1Oc1ccccc1OC
InChIInChI=1S/C18H17ClN4O3/c1-3-11-25-18-14(26-13-8-5-4-7-12(13)24-2)15(19)22-17(23-18)16-20-9-6-10-21-16/h4-10H,3,11H2,1-2H3
InChIKeyVUDZKUUAHHLNIB-UHFFFAOYSA-N
XLogP4.18
TPSA79.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-methoxyphenoxy)-6-propoxy-2-pyrimidin-2-ylpyrimidine?
The IUPAC name of 4-chloro-5-(2-methoxyphenoxy)-6-propoxy-2-pyrimidin-2-ylpyrimidine (CID 59532565) is 4-chloro-5-(2-methoxyphenoxy)-6-propoxy-2-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-(2-methoxyphenoxy)-6-propoxy-2-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5-(2-methoxyphenoxy)-6-propoxy-2-pyrimidin-2-ylpyrimidine is CCCOc1nc(-c2ncccn2)nc(Cl)c1Oc1ccccc1OC.
What is the InChIKey of 4-chloro-5-(2-methoxyphenoxy)-6-propoxy-2-pyrimidin-2-ylpyrimidine?
The InChIKey is VUDZKUUAHHLNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-3-11-25-18-14(26-13-8-5-4-7-12(13)24-2)15(19)22-17(23-18)16-20-9-6-10-21-16/h4-10H,3,11H2,1-2H3.
What are the key properties of 4-chloro-5-(2-methoxyphenoxy)-6-propoxy-2-pyrimidin-2-ylpyrimidine?
4-chloro-5-(2-methoxyphenoxy)-6-propoxy-2-pyrimidin-2-ylpyrimidine has a molecular weight of 372.81 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-methoxyphenoxy)-6-propoxy-2-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 59532565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).