4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine

C12H17ClN2O3 — CID 116745866

IUPAC4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine
SMILESCOCc1cc(Cl)nc(C2(OC)CCOCC2)n1
InChIInChI=1S/C12H17ClN2O3/c1-16-8-9-7-10(13)15-11(14-9)12(17-2)3-5-18-6-4-12/h7H,3-6,8H2,1-2H3
InChIKeyUNEIVNSJCLSESN-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.93
Rot. Bonds4

About 4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine

4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine (PubChem CID 116745866) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine
PubChem CID116745866
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine
SMILESCOCc1cc(Cl)nc(C2(OC)CCOCC2)n1
InChIInChI=1S/C12H17ClN2O3/c1-16-8-9-7-10(13)15-11(14-9)12(17-2)3-5-18-6-4-12/h7H,3-6,8H2,1-2H3
InChIKeyUNEIVNSJCLSESN-UHFFFAOYSA-N
XLogP1.93
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine
CID 116745853
4-chloro-6-cyclopentyl-2-(4-methoxyoxan-4-yl)pyrimidine
CID 116746454
4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine
CID 116745967
2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116776150
[2-(1-methoxycyclobutyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 116730395
4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine
CID 63082884
4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine
CID 116745751
4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine
CID 116746401
4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine
CID 116745703
4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine
CID 104609956
4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine
CID 116706276
4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine
CID 116779068

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine?
The IUPAC name of 4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine (CID 116745866) is 4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine is COCc1cc(Cl)nc(C2(OC)CCOCC2)n1.
What is the InChIKey of 4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine?
The InChIKey is UNEIVNSJCLSESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-16-8-9-7-10(13)15-11(14-9)12(17-2)3-5-18-6-4-12/h7H,3-6,8H2,1-2H3.
What are the key properties of 4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine?
4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine has a molecular weight of 272.73 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine is sourced from PubChem (CID 116745866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).