4,6-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one

C14H25N3O — CID 62562403

IUPAC4,6-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCNCCCC(C)C)c(=O)n1
InChIInChI=1S/C14H25N3O/c1-11(2)6-5-7-15-8-9-17-13(4)10-12(3)16-14(17)18/h10-11,15H,5-9H2,1-4H3
InChIKeyYCHGXOUVBQYUOV-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.89
Rot. Bonds7

About 4,6-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one

4,6-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one (PubChem CID 62562403) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4,6-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one
PubChem CID62562403
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4,6-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCNCCCC(C)C)c(=O)n1
InChIInChI=1S/C14H25N3O/c1-11(2)6-5-7-15-8-9-17-13(4)10-12(3)16-14(17)18/h10-11,15H,5-9H2,1-4H3
InChIKeyYCHGXOUVBQYUOV-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one (CID 62562403) is 4,6-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one is Cc1cc(C)n(CCNCCCC(C)C)c(=O)n1.
What is the InChIKey of 4,6-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one?
The InChIKey is YCHGXOUVBQYUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)6-5-7-15-8-9-17-13(4)10-12(3)16-14(17)18/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 4,6-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one?
4,6-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one has a molecular weight of 251.37 g/mol, XLogP of 1.89, 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-(4-methylpentylamino)ethyl]pyrimidin-2-one is sourced from PubChem (CID 62562403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).