4-methyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one

C13H23N3O — CID 114217457

IUPAC4-methyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one
SMILESCc1ccn(CCNCCCC(C)C)c(=O)n1
InChIInChI=1S/C13H23N3O/c1-11(2)5-4-7-14-8-10-16-9-6-12(3)15-13(16)17/h6,9,11,14H,4-5,7-8,10H2,1-3H3
InChIKeyZUWHWOXPONDZCR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.58
Rot. Bonds7

About 4-methyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one

4-methyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one (PubChem CID 114217457) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-methyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one
PubChem CID114217457
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-methyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one
SMILESCc1ccn(CCNCCCC(C)C)c(=O)n1
InChIInChI=1S/C13H23N3O/c1-11(2)5-4-7-14-8-10-16-9-6-12(3)15-13(16)17/h6,9,11,14H,4-5,7-8,10H2,1-3H3
InChIKeyZUWHWOXPONDZCR-UHFFFAOYSA-N
XLogP1.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.58
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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Related Compounds

4-Methyl-1-(5-methylhexyl)pyrimidin-2-one
CID 59434684
1-Propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one
CID 121271032
1-[2-(5-Methylhexan-2-ylamino)ethyl]pyrimidin-2-one
CID 62562055
4,6-Dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one
CID 62562403
4,6-Dimethyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-2-one
CID 62563633
1-[2-(4-Methylpentylamino)ethyl]pyrimidin-2-one
CID 62563978
4,6-Dimethyl-1-[2-(3-methylbutylamino)ethyl]pyrimidin-2-one
CID 62564145
1-[2-Cyclopropyl-2-(ethylamino)ethyl]pyrimidin-2-one
CID 63915013
1-[2-Cyclopropyl-2-(propylamino)ethyl]pyrimidin-2-one
CID 63915445
1-[2-(Ethylamino)-3-methylpentyl]pyrimidin-2-one
CID 80445278
4,6-Dimethyl-1-[3-methyl-2-(propylamino)pentyl]pyrimidin-2-one
CID 80445491
4,6-Dimethyl-1-[3-methyl-2-(methylamino)pentyl]pyrimidin-2-one
CID 80445540

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one?
The IUPAC name of 4-methyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one (CID 114217457) is 4-methyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one.
What is the SMILES notation for 4-methyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one?
The canonical SMILES for 4-methyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one is Cc1ccn(CCNCCCC(C)C)c(=O)n1.
What is the InChIKey of 4-methyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one?
The InChIKey is ZUWHWOXPONDZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)5-4-7-14-8-10-16-9-6-12(3)15-13(16)17/h6,9,11,14H,4-5,7-8,10H2,1-3H3.
What are the key properties of 4-methyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one?
4-methyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(4-methylpentylamino)ethyl]pyrimidin-2-one is sourced from PubChem (CID 114217457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).