4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine

C15H23ClN2O — CID 116745703

IUPAC4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(C2(OCC)CCCCC2)n1
InChIInChI=1S/C15H23ClN2O/c1-3-8-12-11-13(16)18-14(17-12)15(19-4-2)9-6-5-7-10-15/h11H,3-10H2,1-2H3
InChIKeyNTOANSOYWZWNAZ-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.28
Rot. Bonds5

About 4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine

4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine (PubChem CID 116745703) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine
PubChem CID116745703
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(C2(OCC)CCCCC2)n1
InChIInChI=1S/C15H23ClN2O/c1-3-8-12-11-13(16)18-14(17-12)15(19-4-2)9-6-5-7-10-15/h11H,3-10H2,1-2H3
InChIKeyNTOANSOYWZWNAZ-UHFFFAOYSA-N
XLogP4.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine
CID 116746376
4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine
CID 116745682
[2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine
CID 116777542
4-tert-butyl-6-chloro-2-(1-ethoxycycloheptyl)pyrimidine
CID 116745718
5-(chloromethyl)-3-(1-ethoxycycloheptyl)-1H-1,2,4-triazole
CID 116782491
2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine
CID 116775599
2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776166
4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116745680
2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine
CID 116776648
N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine
CID 116778500
4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine
CID 116746016
4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine
CID 116745802

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine (CID 116745703) is 4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine is CCCc1cc(Cl)nc(C2(OCC)CCCCC2)n1.
What is the InChIKey of 4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine?
The InChIKey is NTOANSOYWZWNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-8-12-11-13(16)18-14(17-12)15(19-4-2)9-6-5-7-10-15/h11H,3-10H2,1-2H3.
What are the key properties of 4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine?
4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine has a molecular weight of 282.81 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine is sourced from PubChem (CID 116745703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).