4,6-dimethyl-1-[2-(propylamino)pentyl]pyrimidin-2-one

C14H25N3O — CID 62043835

IUPAC4,6-dimethyl-1-[2-(propylamino)pentyl]pyrimidin-2-one
SMILESCCCNC(CCC)Cn1c(C)cc(C)nc1=O
InChIInChI=1S/C14H25N3O/c1-5-7-13(15-8-6-2)10-17-12(4)9-11(3)16-14(17)18/h9,13,15H,5-8,10H2,1-4H3
InChIKeySDVWZZYIPBSECJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.03
Rot. Bonds7

About 4,6-dimethyl-1-[2-(propylamino)pentyl]pyrimidin-2-one

4,6-dimethyl-1-[2-(propylamino)pentyl]pyrimidin-2-one (PubChem CID 62043835) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4,6-dimethyl-1-[2-(propylamino)pentyl]pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[2-(propylamino)pentyl]pyrimidin-2-one
PubChem CID62043835
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4,6-dimethyl-1-[2-(propylamino)pentyl]pyrimidin-2-one
SMILESCCCNC(CCC)Cn1c(C)cc(C)nc1=O
InChIInChI=1S/C14H25N3O/c1-5-7-13(15-8-6-2)10-17-12(4)9-11(3)16-14(17)18/h9,13,15H,5-8,10H2,1-4H3
InChIKeySDVWZZYIPBSECJ-UHFFFAOYSA-N
XLogP2.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[2-(propylamino)pentyl]pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-[2-(propylamino)pentyl]pyrimidin-2-one (CID 62043835) is 4,6-dimethyl-1-[2-(propylamino)pentyl]pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[2-(propylamino)pentyl]pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[2-(propylamino)pentyl]pyrimidin-2-one is CCCNC(CCC)Cn1c(C)cc(C)nc1=O.
What is the InChIKey of 4,6-dimethyl-1-[2-(propylamino)pentyl]pyrimidin-2-one?
The InChIKey is SDVWZZYIPBSECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-7-13(15-8-6-2)10-17-12(4)9-11(3)16-14(17)18/h9,13,15H,5-8,10H2,1-4H3.
What are the key properties of 4,6-dimethyl-1-[2-(propylamino)pentyl]pyrimidin-2-one?
4,6-dimethyl-1-[2-(propylamino)pentyl]pyrimidin-2-one has a molecular weight of 251.37 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[2-(propylamino)pentyl]pyrimidin-2-one is sourced from PubChem (CID 62043835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).