4-chloro-6-phenylmethoxy-5-propylpyrimidine

C14H15ClN2O — CID 63735015

IUPAC4-chloro-6-phenylmethoxy-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1OCc1ccccc1
InChIInChI=1S/C14H15ClN2O/c1-2-6-12-13(15)16-10-17-14(12)18-9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3
InChIKeyMTEUSLPCZNRDQA-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.66
Rot. Bonds5

About 4-chloro-6-phenylmethoxy-5-propylpyrimidine

4-chloro-6-phenylmethoxy-5-propylpyrimidine (PubChem CID 63735015) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-6-phenylmethoxy-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-phenylmethoxy-5-propylpyrimidine
PubChem CID63735015
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-chloro-6-phenylmethoxy-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1OCc1ccccc1
InChIInChI=1S/C14H15ClN2O/c1-2-6-12-13(15)16-10-17-14(12)18-9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3
InChIKeyMTEUSLPCZNRDQA-UHFFFAOYSA-N
XLogP3.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-ethyl-6-phenylmethoxypyrimidine
CID 55230236
4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine
CID 63734858
4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine
CID 63734722
4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine
CID 63733980
N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine
CID 63735238
[6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine
CID 80922462
4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine
CID 103283660
4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine
CID 63736397
4-chloro-6-(3-methylbut-3-enoxy)-5-propylpyrimidine
CID 114470129
4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine
CID 63734172
6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine
CID 106193512
4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine
CID 114248317

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-phenylmethoxy-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-phenylmethoxy-5-propylpyrimidine (CID 63735015) is 4-chloro-6-phenylmethoxy-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-phenylmethoxy-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-phenylmethoxy-5-propylpyrimidine is CCCc1c(Cl)ncnc1OCc1ccccc1.
What is the InChIKey of 4-chloro-6-phenylmethoxy-5-propylpyrimidine?
The InChIKey is MTEUSLPCZNRDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-2-6-12-13(15)16-10-17-14(12)18-9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3.
What are the key properties of 4-chloro-6-phenylmethoxy-5-propylpyrimidine?
4-chloro-6-phenylmethoxy-5-propylpyrimidine has a molecular weight of 262.74 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-phenylmethoxy-5-propylpyrimidine is sourced from PubChem (CID 63735015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).