4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine

C13H20ClN3O — CID 63980185

IUPAC4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine
SMILESCCc1c(Cl)ncnc1N1CCC(COC)CC1
InChIInChI=1S/C13H20ClN3O/c1-3-11-12(14)15-9-16-13(11)17-6-4-10(5-7-17)8-18-2/h9-10H,3-8H2,1-2H3
InChIKeyGHZFLKGAWLPVCH-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.56
Rot. Bonds4

About 4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine

4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine (PubChem CID 63980185) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine
PubChem CID63980185
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine
SMILESCCc1c(Cl)ncnc1N1CCC(COC)CC1
InChIInChI=1S/C13H20ClN3O/c1-3-11-12(14)15-9-16-13(11)17-6-4-10(5-7-17)8-18-2/h9-10H,3-8H2,1-2H3
InChIKeyGHZFLKGAWLPVCH-UHFFFAOYSA-N
XLogP2.56
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine (CID 63980185) is 4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine is CCc1c(Cl)ncnc1N1CCC(COC)CC1.
What is the InChIKey of 4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine?
The InChIKey is GHZFLKGAWLPVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-11-12(14)15-9-16-13(11)17-6-4-10(5-7-17)8-18-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine?
4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine has a molecular weight of 269.78 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 63980185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).