4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine

C13H19ClN2O2 — CID 63734887

IUPAC4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1OCC1CCOCC1
InChIInChI=1S/C13H19ClN2O2/c1-2-3-11-12(14)15-9-16-13(11)18-8-10-4-6-17-7-5-10/h9-10H,2-8H2,1H3
InChIKeyWFBNTIREDUMOTC-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.89
Rot. Bonds5

About 4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine

4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine (PubChem CID 63734887) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine
PubChem CID63734887
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1OCC1CCOCC1
InChIInChI=1S/C13H19ClN2O2/c1-2-3-11-12(14)15-9-16-13(11)18-8-10-4-6-17-7-5-10/h9-10H,2-8H2,1H3
InChIKeyWFBNTIREDUMOTC-UHFFFAOYSA-N
XLogP2.89
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine
CID 114248317
3,5-dichloro-N-ethyl-6-(oxan-4-ylmethoxy)pyridin-2-amine
CID 102760933
4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine
CID 63733980
4-chloro-6-phenylmethoxy-5-propylpyrimidine
CID 63735015
4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine
CID 103283660
4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine
CID 63736397
4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine
CID 80973930
4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine
CID 63734858
6-chloro-N-(cyclopropylmethyl)-N-ethyl-5-propylpyrimidin-4-amine
CID 63956110
[6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80924460
6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine
CID 80877477
1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine
CID 103079156

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine (CID 63734887) is 4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine is CCCc1c(Cl)ncnc1OCC1CCOCC1.
What is the InChIKey of 4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine?
The InChIKey is WFBNTIREDUMOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-2-3-11-12(14)15-9-16-13(11)18-8-10-4-6-17-7-5-10/h9-10H,2-8H2,1H3.
What are the key properties of 4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine?
4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine has a molecular weight of 270.76 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine is sourced from PubChem (CID 63734887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).