2,6-dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one

C13H23N3O — CID 63767942

IUPAC2,6-dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one
SMILESCCCNC(CC)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C13H23N3O/c1-5-7-14-12(6-2)9-16-11(4)15-10(3)8-13(16)17/h8,12,14H,5-7,9H2,1-4H3
InChIKeyXNUUHYFDXMZLEZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.64
Rot. Bonds6

About 2,6-dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one

2,6-dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one (PubChem CID 63767942) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2,6-dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one
PubChem CID63767942
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2,6-dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one
SMILESCCCNC(CC)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C13H23N3O/c1-5-7-14-12(6-2)9-16-11(4)15-10(3)8-13(16)17/h8,12,14H,5-7,9H2,1-4H3
InChIKeyXNUUHYFDXMZLEZ-UHFFFAOYSA-N
XLogP1.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one (CID 63767942) is 2,6-dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one is CCCNC(CC)Cn1c(C)nc(C)cc1=O.
What is the InChIKey of 2,6-dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one?
The InChIKey is XNUUHYFDXMZLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-7-14-12(6-2)9-16-11(4)15-10(3)8-13(16)17/h8,12,14H,5-7,9H2,1-4H3.
What are the key properties of 2,6-dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one?
2,6-dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one has a molecular weight of 237.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one is sourced from PubChem (CID 63767942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).