1,3-bis(2-cyclohexylethyl)-5-fluoropyrimidine-2,4-dione

C20H31FN2O2 — CID 130246589

IUPAC1,3-bis(2-cyclohexylethyl)-5-fluoropyrimidine-2,4-dione
SMILESO=c1c(F)cn(CCC2CCCCC2)c(=O)n1CCC1CCCCC1
InChIInChI=1S/C20H31FN2O2/c21-18-15-22(13-11-16-7-3-1-4-8-16)20(25)23(19(18)24)14-12-17-9-5-2-6-10-17/h15-17H,1-14H2
InChIKeyCQKUZRPJEIJPBB-UHFFFAOYSA-N
MW350.48 g/mol
LogP4.09
Rot. Bonds6

About 1,3-bis(2-cyclohexylethyl)-5-fluoropyrimidine-2,4-dione

1,3-bis(2-cyclohexylethyl)-5-fluoropyrimidine-2,4-dione (PubChem CID 130246589) has the molecular formula C20H31FN2O2 and a molecular weight of 350.48 g/mol. Its IUPAC name is 1,3-bis(2-cyclohexylethyl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(2-cyclohexylethyl)-5-fluoropyrimidine-2,4-dione
PubChem CID130246589
Molecular FormulaC20H31FN2O2
Molecular Weight350.48 g/mol
Exact Mass350.24
IUPAC Name1,3-bis(2-cyclohexylethyl)-5-fluoropyrimidine-2,4-dione
SMILESO=c1c(F)cn(CCC2CCCCC2)c(=O)n1CCC1CCCCC1
InChIInChI=1S/C20H31FN2O2/c21-18-15-22(13-11-16-7-3-1-4-8-16)20(25)23(19(18)24)14-12-17-9-5-2-6-10-17/h15-17H,1-14H2
InChIKeyCQKUZRPJEIJPBB-UHFFFAOYSA-N
XLogP4.09
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-cyclohexylethyl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1,3-bis(2-cyclohexylethyl)-5-fluoropyrimidine-2,4-dione (CID 130246589) is 1,3-bis(2-cyclohexylethyl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1,3-bis(2-cyclohexylethyl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1,3-bis(2-cyclohexylethyl)-5-fluoropyrimidine-2,4-dione is O=c1c(F)cn(CCC2CCCCC2)c(=O)n1CCC1CCCCC1.
What is the InChIKey of 1,3-bis(2-cyclohexylethyl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is CQKUZRPJEIJPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN2O2/c21-18-15-22(13-11-16-7-3-1-4-8-16)20(25)23(19(18)24)14-12-17-9-5-2-6-10-17/h15-17H,1-14H2.
What are the key properties of 1,3-bis(2-cyclohexylethyl)-5-fluoropyrimidine-2,4-dione?
1,3-bis(2-cyclohexylethyl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 350.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-cyclohexylethyl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 130246589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).