4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine

C14H20Cl2N2O — CID 116746016

IUPAC4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine
SMILESCCOC1(c2nc(Cl)c(C(C)C)c(Cl)n2)CCCC1
InChIInChI=1S/C14H20Cl2N2O/c1-4-19-14(7-5-6-8-14)13-17-11(15)10(9(2)3)12(16)18-13/h9H,4-8H2,1-3H3
InChIKeyBFKCZERRJRAKPT-UHFFFAOYSA-N
MW303.23 g/mol
LogP4.71
Rot. Bonds4

About 4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine

4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine (PubChem CID 116746016) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine
PubChem CID116746016
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine
SMILESCCOC1(c2nc(Cl)c(C(C)C)c(Cl)n2)CCCC1
InChIInChI=1S/C14H20Cl2N2O/c1-4-19-14(7-5-6-8-14)13-17-11(15)10(9(2)3)12(16)18-13/h9H,4-8H2,1-3H3
InChIKeyBFKCZERRJRAKPT-UHFFFAOYSA-N
XLogP4.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine
CID 116745802
4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 116781933
4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine
CID 116746376
2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 116779321
4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine
CID 116746306
5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 116776851
4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine
CID 116745682
4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-5-iodo-6-propan-2-ylpyrimidine
CID 116746228
4-tert-butyl-6-chloro-2-(1-ethoxycycloheptyl)pyrimidine
CID 116745718
4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine
CID 116745703
2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine
CID 114207193
3-(1-ethoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 116782325

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine (CID 116746016) is 4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine is CCOC1(c2nc(Cl)c(C(C)C)c(Cl)n2)CCCC1.
What is the InChIKey of 4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine?
The InChIKey is BFKCZERRJRAKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-4-19-14(7-5-6-8-14)13-17-11(15)10(9(2)3)12(16)18-13/h9H,4-8H2,1-3H3.
What are the key properties of 4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine?
4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine has a molecular weight of 303.23 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 116746016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).