1-[2-cyclohexyl-2-(propylamino)ethyl]pyrimidin-2-one

C15H25N3O — CID 104747044

IUPAC1-[2-cyclohexyl-2-(propylamino)ethyl]pyrimidin-2-one
SMILESCCCNC(Cn1cccnc1=O)C1CCCCC1
InChIInChI=1S/C15H25N3O/c1-2-9-16-14(13-7-4-3-5-8-13)12-18-11-6-10-17-15(18)19/h6,10-11,13-14,16H,2-5,7-9,12H2,1H3
InChIKeyRFXRCUHKGSKSOW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.19
Rot. Bonds6

About 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrimidin-2-one

1-[2-cyclohexyl-2-(propylamino)ethyl]pyrimidin-2-one (PubChem CID 104747044) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-cyclohexyl-2-(propylamino)ethyl]pyrimidin-2-one
PubChem CID104747044
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-cyclohexyl-2-(propylamino)ethyl]pyrimidin-2-one
SMILESCCCNC(Cn1cccnc1=O)C1CCCCC1
InChIInChI=1S/C15H25N3O/c1-2-9-16-14(13-7-4-3-5-8-13)12-18-11-6-10-17-15(18)19/h6,10-11,13-14,16H,2-5,7-9,12H2,1H3
InChIKeyRFXRCUHKGSKSOW-UHFFFAOYSA-N
XLogP2.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrimidin-2-one (CID 104747044) is 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrimidin-2-one is CCCNC(Cn1cccnc1=O)C1CCCCC1.
What is the InChIKey of 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrimidin-2-one?
The InChIKey is RFXRCUHKGSKSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-9-16-14(13-7-4-3-5-8-13)12-18-11-6-10-17-15(18)19/h6,10-11,13-14,16H,2-5,7-9,12H2,1H3.
What are the key properties of 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrimidin-2-one?
1-[2-cyclohexyl-2-(propylamino)ethyl]pyrimidin-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrimidin-2-one is sourced from PubChem (CID 104747044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).