4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine

C15H23ClN2O — CID 116746376

IUPAC4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine
SMILESCCOC1(c2nc(Cl)cc(CC(C)C)n2)CCCC1
InChIInChI=1S/C15H23ClN2O/c1-4-19-15(7-5-6-8-15)14-17-12(9-11(2)3)10-13(16)18-14/h10-11H,4-9H2,1-3H3
InChIKeyHVOPWSYYFXUESJ-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.13
Rot. Bonds5

About 4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine

4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine (PubChem CID 116746376) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine
PubChem CID116746376
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine
SMILESCCOC1(c2nc(Cl)cc(CC(C)C)n2)CCCC1
InChIInChI=1S/C15H23ClN2O/c1-4-19-15(7-5-6-8-15)14-17-12(9-11(2)3)10-13(16)18-14/h10-11H,4-9H2,1-3H3
InChIKeyHVOPWSYYFXUESJ-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine
CID 116745703
[2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine
CID 116777739
4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine
CID 116745682
4-tert-butyl-6-chloro-2-(1-ethoxycycloheptyl)pyrimidine
CID 116745718
4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine
CID 116746016
4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116745747
[2-(1-methoxycyclopentyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine
CID 113432905
4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116745680
4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine
CID 116745751
N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 116778526
2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 116779321
[2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine
CID 116777542

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine?
The IUPAC name of 4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine (CID 116746376) is 4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine is CCOC1(c2nc(Cl)cc(CC(C)C)n2)CCCC1.
What is the InChIKey of 4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine?
The InChIKey is HVOPWSYYFXUESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-4-19-15(7-5-6-8-15)14-17-12(9-11(2)3)10-13(16)18-14/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine?
4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine has a molecular weight of 282.81 g/mol, XLogP of 4.13, 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-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 116746376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).