4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine

C13H19ClN2O2 — CID 80973930

IUPAC4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(OCC2CCOC2)n1
InChIInChI=1S/C13H19ClN2O2/c1-3-4-11-15-12(14)9(2)13(16-11)18-8-10-5-6-17-7-10/h10H,3-8H2,1-2H3
InChIKeyKYYCBCAYHTUAQZ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.81
Rot. Bonds5

About 4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine

4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine (PubChem CID 80973930) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine
PubChem CID80973930
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(OCC2CCOC2)n1
InChIInChI=1S/C13H19ClN2O2/c1-3-4-11-15-12(14)9(2)13(16-11)18-8-10-5-6-17-7-10/h10H,3-8H2,1-2H3
InChIKeyKYYCBCAYHTUAQZ-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine
CID 80974080
4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine
CID 80972734
2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine
CID 80873297
N-ethyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidin-4-amine
CID 80950581
N,2,5-trimethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine
CID 80872805
4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 80972973
4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine
CID 112587573
5-bromo-4-chloro-2-(oxolan-3-ylmethyl)-6-propylpyrimidine
CID 103986047
4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine
CID 80972729
4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine
CID 63734887
6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 79557190
[5-methyl-6-(oxolan-3-ylmethoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001634

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine (CID 80973930) is 4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(OCC2CCOC2)n1.
What is the InChIKey of 4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine?
The InChIKey is KYYCBCAYHTUAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-4-11-15-12(14)9(2)13(16-11)18-8-10-5-6-17-7-10/h10H,3-8H2,1-2H3.
What are the key properties of 4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine?
4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine has a molecular weight of 270.76 g/mol, XLogP of 2.81, 5 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-(oxolan-3-ylmethoxy)-2-propylpyrimidine is sourced from PubChem (CID 80973930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).