4,6-dimethyl-1-[2-(3-methylbutylamino)ethyl]pyrimidin-2-one

C13H23N3O — CID 62564145

IUPAC4,6-dimethyl-1-[2-(3-methylbutylamino)ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCNCCC(C)C)c(=O)n1
InChIInChI=1S/C13H23N3O/c1-10(2)5-6-14-7-8-16-12(4)9-11(3)15-13(16)17/h9-10,14H,5-8H2,1-4H3
InChIKeyWKKIJYFTKRZPIP-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.50
Rot. Bonds6

About 4,6-dimethyl-1-[2-(3-methylbutylamino)ethyl]pyrimidin-2-one

4,6-dimethyl-1-[2-(3-methylbutylamino)ethyl]pyrimidin-2-one (PubChem CID 62564145) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4,6-dimethyl-1-[2-(3-methylbutylamino)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[2-(3-methylbutylamino)ethyl]pyrimidin-2-one
PubChem CID62564145
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4,6-dimethyl-1-[2-(3-methylbutylamino)ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCNCCC(C)C)c(=O)n1
InChIInChI=1S/C13H23N3O/c1-10(2)5-6-14-7-8-16-12(4)9-11(3)15-13(16)17/h9-10,14H,5-8H2,1-4H3
InChIKeyWKKIJYFTKRZPIP-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
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-(3-methylbutylamino)ethyl]pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-[2-(3-methylbutylamino)ethyl]pyrimidin-2-one (CID 62564145) is 4,6-dimethyl-1-[2-(3-methylbutylamino)ethyl]pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[2-(3-methylbutylamino)ethyl]pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[2-(3-methylbutylamino)ethyl]pyrimidin-2-one is Cc1cc(C)n(CCNCCC(C)C)c(=O)n1.
What is the InChIKey of 4,6-dimethyl-1-[2-(3-methylbutylamino)ethyl]pyrimidin-2-one?
The InChIKey is WKKIJYFTKRZPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)5-6-14-7-8-16-12(4)9-11(3)15-13(16)17/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 4,6-dimethyl-1-[2-(3-methylbutylamino)ethyl]pyrimidin-2-one?
4,6-dimethyl-1-[2-(3-methylbutylamino)ethyl]pyrimidin-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.50, 6 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-(3-methylbutylamino)ethyl]pyrimidin-2-one is sourced from PubChem (CID 62564145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).