4-chloro-6-(4-ethoxyphenyl)-2-propylpyrimidine

C15H17ClN2O — CID 80945258

IUPAC4-chloro-6-(4-ethoxyphenyl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-c2ccc(OCC)cc2)n1
InChIInChI=1S/C15H17ClN2O/c1-3-5-15-17-13(10-14(16)18-15)11-6-8-12(9-7-11)19-4-2/h6-10H,3-5H2,1-2H3
InChIKeyXTDGFCMUSRBDBY-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.15
Rot. Bonds5

About 4-chloro-6-(4-ethoxyphenyl)-2-propylpyrimidine

4-chloro-6-(4-ethoxyphenyl)-2-propylpyrimidine (PubChem CID 80945258) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-6-(4-ethoxyphenyl)-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-ethoxyphenyl)-2-propylpyrimidine
PubChem CID80945258
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-6-(4-ethoxyphenyl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-c2ccc(OCC)cc2)n1
InChIInChI=1S/C15H17ClN2O/c1-3-5-15-17-13(10-14(16)18-15)11-6-8-12(9-7-11)19-4-2/h6-10H,3-5H2,1-2H3
InChIKeyXTDGFCMUSRBDBY-UHFFFAOYSA-N
XLogP4.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(4-propan-2-yloxyphenyl)-2-propylpyrimidine
CID 80946367
4-(4-tert-butylphenyl)-6-chloro-2-propylpyrimidine
CID 80946463
4-chloro-6-(3-methylphenyl)-2-propylpyrimidine
CID 80946541
[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol
CID 116893816
4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine
CID 80945558
4-chloro-2-(4-ethoxyphenyl)pyridine
CID 102825071
4-chloro-6-(5-ethoxy-3-pyridinyl)-2-(methoxymethyl)pyrimidine
CID 113401167
4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine
CID 116545984
4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine
CID 80936220
[4-(4-ethoxyphenyl)pyrimidin-2-yl]methanethiol
CID 116900346
2-chloro-5-(4-ethoxyphenyl)pyridine
CID 19765548
4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine
CID 61385533

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-ethoxyphenyl)-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(4-ethoxyphenyl)-2-propylpyrimidine (CID 80945258) is 4-chloro-6-(4-ethoxyphenyl)-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-ethoxyphenyl)-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-ethoxyphenyl)-2-propylpyrimidine is CCCc1nc(Cl)cc(-c2ccc(OCC)cc2)n1.
What is the InChIKey of 4-chloro-6-(4-ethoxyphenyl)-2-propylpyrimidine?
The InChIKey is XTDGFCMUSRBDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-5-15-17-13(10-14(16)18-15)11-6-8-12(9-7-11)19-4-2/h6-10H,3-5H2,1-2H3.
What are the key properties of 4-chloro-6-(4-ethoxyphenyl)-2-propylpyrimidine?
4-chloro-6-(4-ethoxyphenyl)-2-propylpyrimidine has a molecular weight of 276.77 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-ethoxyphenyl)-2-propylpyrimidine is sourced from PubChem (CID 80945258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).