4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine

C11H14Cl2N2O2 — CID 116745967

IUPAC4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine
SMILESCOC1(c2nc(Cl)c(C)c(Cl)n2)CCOCC1
InChIInChI=1S/C11H14Cl2N2O2/c1-7-8(12)14-10(15-9(7)13)11(16-2)3-5-17-6-4-11/h3-6H2,1-2H3
InChIKeyDVOJYEPDIBYHMI-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.74
Rot. Bonds2

About 4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine

4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine (PubChem CID 116745967) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine
PubChem CID116745967
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine
SMILESCOC1(c2nc(Cl)c(C)c(Cl)n2)CCOCC1
InChIInChI=1S/C11H14Cl2N2O2/c1-7-8(12)14-10(15-9(7)13)11(16-2)3-5-17-6-4-11/h3-6H2,1-2H3
InChIKeyDVOJYEPDIBYHMI-UHFFFAOYSA-N
XLogP2.74
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine
CID 116745969
4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine
CID 116746401
3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 116742083
4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine
CID 116745866
4-chloro-6-cyclopentyl-2-(4-methoxyoxan-4-yl)pyrimidine
CID 116746454
4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine
CID 116746038
5-(1-chloroethyl)-3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole
CID 116740050
5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine
CID 116746046
[3-(4-methoxyoxan-4-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 116782471
4-ethyl-2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742417
(1S)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899927
4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine
CID 116746144

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine (CID 116745967) is 4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine is COC1(c2nc(Cl)c(C)c(Cl)n2)CCOCC1.
What is the InChIKey of 4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine?
The InChIKey is DVOJYEPDIBYHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-7-8(12)14-10(15-9(7)13)11(16-2)3-5-17-6-4-11/h3-6H2,1-2H3.
What are the key properties of 4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine?
4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine has a molecular weight of 277.15 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine is sourced from PubChem (CID 116745967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).