4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine

C16H19ClN2O — CID 116545984

IUPAC4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine
SMILESCCCc1cccc(-c2cc(Cl)nc(COCC)n2)c1
InChIInChI=1S/C16H19ClN2O/c1-3-6-12-7-5-8-13(9-12)14-10-15(17)19-16(18-14)11-20-4-2/h5,7-10H,3-4,6,11H2,1-2H3
InChIKeyLBNPMLRWYWAMSL-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.29
Rot. Bonds6

About 4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine

4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine (PubChem CID 116545984) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine
PubChem CID116545984
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine
SMILESCCCc1cccc(-c2cc(Cl)nc(COCC)n2)c1
InChIInChI=1S/C16H19ClN2O/c1-3-6-12-7-5-8-13(9-12)14-10-15(17)19-16(18-14)11-20-4-2/h5,7-10H,3-4,6,11H2,1-2H3
InChIKeyLBNPMLRWYWAMSL-UHFFFAOYSA-N
XLogP4.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine?
The IUPAC name of 4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine (CID 116545984) is 4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine is CCCc1cccc(-c2cc(Cl)nc(COCC)n2)c1.
What is the InChIKey of 4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine?
The InChIKey is LBNPMLRWYWAMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-3-6-12-7-5-8-13(9-12)14-10-15(17)19-16(18-14)11-20-4-2/h5,7-10H,3-4,6,11H2,1-2H3.
What are the key properties of 4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine?
4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine has a molecular weight of 290.79 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine is sourced from PubChem (CID 116545984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).