4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine

C14H23ClN2O2 — CID 112587573

IUPAC4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(OCCOC(C)(C)C)n1
InChIInChI=1S/C14H23ClN2O2/c1-6-7-11-16-12(15)10(2)13(17-11)18-8-9-19-14(3,4)5/h6-9H2,1-5H3
InChIKeyZEFKQRPWCFVMDR-UHFFFAOYSA-N
MW286.80 g/mol
LogP3.58
Rot. Bonds6

About 4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine

4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine (PubChem CID 112587573) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine
PubChem CID112587573
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(OCCOC(C)(C)C)n1
InChIInChI=1S/C14H23ClN2O2/c1-6-7-11-16-12(15)10(2)13(17-11)18-8-9-19-14(3,4)5/h6-9H2,1-5H3
InChIKeyZEFKQRPWCFVMDR-UHFFFAOYSA-N
XLogP3.58
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 80972973
4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine
CID 80972729
4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine
CID 80974467
4-chloro-2-ethyl-6-(3-methoxy-3-methylbutoxy)-5-methylpyrimidine
CID 106665587
4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine
CID 80973551
4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine
CID 106794814
4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine
CID 80973545
4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine
CID 80973302
6-butoxy-5-methyl-2-propylpyrimidin-4-amine
CID 80989223
6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971330
4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine
CID 80974080
4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine
CID 80973930

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine (CID 112587573) is 4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(OCCOC(C)(C)C)n1.
What is the InChIKey of 4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine?
The InChIKey is ZEFKQRPWCFVMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-6-7-11-16-12(15)10(2)13(17-11)18-8-9-19-14(3,4)5/h6-9H2,1-5H3.
What are the key properties of 4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine?
4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine has a molecular weight of 286.80 g/mol, XLogP of 3.58, 6 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-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine is sourced from PubChem (CID 112587573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).