5-chloro-4-ethoxy-2-[(6-methoxy-3-pyridinyl)oxy]pyrimidine

C12H12ClN3O3 — CID 167836906

IUPAC5-chloro-4-ethoxy-2-[(6-methoxy-3-pyridinyl)oxy]pyrimidine
SMILESCCOc1nc(Oc2ccc(OC)nc2)ncc1Cl
InChIInChI=1S/C12H12ClN3O3/c1-3-18-11-9(13)7-15-12(16-11)19-8-4-5-10(17-2)14-6-8/h4-7H,3H2,1-2H3
InChIKeyCMOTUFGQRSILBO-UHFFFAOYSA-N
MW281.70 g/mol
LogP2.72
Rot. Bonds5

About 5-chloro-4-ethoxy-2-[(6-methoxy-3-pyridinyl)oxy]pyrimidine

5-chloro-4-ethoxy-2-[(6-methoxy-3-pyridinyl)oxy]pyrimidine (PubChem CID 167836906) has the molecular formula C12H12ClN3O3 and a molecular weight of 281.70 g/mol. Its IUPAC name is 5-chloro-4-ethoxy-2-[(6-methoxy-3-pyridinyl)oxy]pyrimidine.

Molecular Properties

Compound Name5-chloro-4-ethoxy-2-[(6-methoxy-3-pyridinyl)oxy]pyrimidine
PubChem CID167836906
Molecular FormulaC12H12ClN3O3
Molecular Weight281.70 g/mol
Exact Mass281.06
IUPAC Name5-chloro-4-ethoxy-2-[(6-methoxy-3-pyridinyl)oxy]pyrimidine
SMILESCCOc1nc(Oc2ccc(OC)nc2)ncc1Cl
InChIInChI=1S/C12H12ClN3O3/c1-3-18-11-9(13)7-15-12(16-11)19-8-4-5-10(17-2)14-6-8/h4-7H,3H2,1-2H3
InChIKeyCMOTUFGQRSILBO-UHFFFAOYSA-N
XLogP2.72
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol
CID 107709676
2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine
CID 58247423
4-ethoxy-2-[(6-methyl-3-pyridinyl)oxy]pyrimidine
CID 167895848
5-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylaniline
CID 114252547
5-chloro-2-(4-ethoxyphenoxy)pyridine
CID 66234109
1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine
CID 80752764
2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline
CID 102902759
5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine
CID 106999196
1-[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928337
5-bromo-2-(3-chloro-4-nitrophenoxy)-4-methoxypyrimidine
CID 106999309
3-methoxy-2-[(6-methoxy-3-pyridinyl)oxy]-1H-pyridin-4-one
CID 57080596
5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine
CID 146597513

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethoxy-2-[(6-methoxy-3-pyridinyl)oxy]pyrimidine?
The IUPAC name of 5-chloro-4-ethoxy-2-[(6-methoxy-3-pyridinyl)oxy]pyrimidine (CID 167836906) is 5-chloro-4-ethoxy-2-[(6-methoxy-3-pyridinyl)oxy]pyrimidine.
What is the SMILES notation for 5-chloro-4-ethoxy-2-[(6-methoxy-3-pyridinyl)oxy]pyrimidine?
The canonical SMILES for 5-chloro-4-ethoxy-2-[(6-methoxy-3-pyridinyl)oxy]pyrimidine is CCOc1nc(Oc2ccc(OC)nc2)ncc1Cl.
What is the InChIKey of 5-chloro-4-ethoxy-2-[(6-methoxy-3-pyridinyl)oxy]pyrimidine?
The InChIKey is CMOTUFGQRSILBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3/c1-3-18-11-9(13)7-15-12(16-11)19-8-4-5-10(17-2)14-6-8/h4-7H,3H2,1-2H3.
What are the key properties of 5-chloro-4-ethoxy-2-[(6-methoxy-3-pyridinyl)oxy]pyrimidine?
5-chloro-4-ethoxy-2-[(6-methoxy-3-pyridinyl)oxy]pyrimidine has a molecular weight of 281.70 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethoxy-2-[(6-methoxy-3-pyridinyl)oxy]pyrimidine is sourced from PubChem (CID 167836906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).