4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine

C13H21ClN2O2 — CID 116745855

IUPAC4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine
SMILESCCOC(CC)(CC)c1nc(Cl)cc(COC)n1
InChIInChI=1S/C13H21ClN2O2/c1-5-13(6-2,18-7-3)12-15-10(9-17-4)8-11(14)16-12/h8H,5-7,9H2,1-4H3
InChIKeyLITSTYBQTNHRAC-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.33
Rot. Bonds7

About 4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine

4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine (PubChem CID 116745855) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine
PubChem CID116745855
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine
SMILESCCOC(CC)(CC)c1nc(Cl)cc(COC)n1
InChIInChI=1S/C13H21ClN2O2/c1-5-13(6-2,18-7-3)12-15-10(9-17-4)8-11(14)16-12/h8H,5-7,9H2,1-4H3
InChIKeyLITSTYBQTNHRAC-UHFFFAOYSA-N
XLogP3.33
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine
CID 116745694
2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776158
4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine
CID 116745666
4-chloro-2-(3-ethoxypentan-3-yl)-5-iodo-6-methylpyrimidine
CID 116746099
4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine
CID 62319957
(2-tert-butyl-6-chloropyrimidin-4-yl)methanamine
CID 83852104
4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine
CID 62319942
6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine
CID 116775612
4-chloro-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidine
CID 116706238
4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine
CID 62319950
4-chloro-6-(methoxymethyl)-N-(2-methylphenyl)pyrimidin-2-amine
CID 54402398
4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine
CID 103146688

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine (CID 116745855) is 4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine is CCOC(CC)(CC)c1nc(Cl)cc(COC)n1.
What is the InChIKey of 4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine?
The InChIKey is LITSTYBQTNHRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-5-13(6-2,18-7-3)12-15-10(9-17-4)8-11(14)16-12/h8H,5-7,9H2,1-4H3.
What are the key properties of 4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine?
4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine has a molecular weight of 272.78 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 116745855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).