4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine

C11H15ClN2O2 — CID 63736573

IUPAC4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine
SMILESCc1c(Cl)ncnc1OCC1CCCCO1
InChIInChI=1S/C11H15ClN2O2/c1-8-10(12)13-7-14-11(8)16-6-9-4-2-3-5-15-9/h7,9H,2-6H2,1H3
InChIKeySUNRMATWYCYBEM-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.39
Rot. Bonds3

About 4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine

4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine (PubChem CID 63736573) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine
PubChem CID63736573
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine
SMILESCc1c(Cl)ncnc1OCC1CCCCO1
InChIInChI=1S/C11H15ClN2O2/c1-8-10(12)13-7-14-11(8)16-6-9-4-2-3-5-15-9/h7,9H,2-6H2,1H3
InChIKeySUNRMATWYCYBEM-UHFFFAOYSA-N
XLogP2.39
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine
CID 63271994
3-chloro-4,5-dimethyl-6-(oxolan-2-ylmethoxy)pyridazine
CID 63271996
5-chloro-6-methyl-7-(oxan-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075870
6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63729583
3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine
CID 61258069
2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine
CID 79081513
N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine
CID 80860410
3-chloro-6-(oxan-2-ylmethoxy)pyridazine
CID 24688626
4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole
CID 83152491
[6-(oxolan-2-ylmethoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80912557
4-chloro-2-methyl-5-nitro-6-(oxolan-2-ylmethoxy)pyrimidine
CID 130268236
2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine
CID 103319749

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine (CID 63736573) is 4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine is Cc1c(Cl)ncnc1OCC1CCCCO1.
What is the InChIKey of 4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine?
The InChIKey is SUNRMATWYCYBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-8-10(12)13-7-14-11(8)16-6-9-4-2-3-5-15-9/h7,9H,2-6H2,1H3.
What are the key properties of 4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine?
4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine has a molecular weight of 242.71 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine is sourced from PubChem (CID 63736573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).