4-(hexylamino)-2-methyl-1H-pyrimidin-6-one

C11H19N3O — CID 136956727

IUPAC4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCCCCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O/c1-3-4-5-6-7-12-10-8-11(15)14-9(2)13-10/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyMNWWXVJNNWLPAJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.07
Rot. Bonds6

About 4-(hexylamino)-2-methyl-1H-pyrimidin-6-one

4-(hexylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956727) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(hexylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136956727
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCCCCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O/c1-3-4-5-6-7-12-10-8-11(15)14-9(2)13-10/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyMNWWXVJNNWLPAJ-UHFFFAOYSA-N
XLogP2.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
2-methyl-4-(5-methylhexylamino)-1H-pyrimidin-6-one
CID 136957022
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
CID 136957026
2-methyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137015545
4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one
CID 137008779
2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one
CID 137000544
2-methyl-4-(3-pyrrolidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136956622
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373
N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956102
4-(2-cyclopropylethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956867
2-methyl-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one
CID 136978199

Frequently Asked Questions

What is the IUPAC name of 4-(hexylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(hexylamino)-2-methyl-1H-pyrimidin-6-one (CID 136956727) is 4-(hexylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(hexylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(hexylamino)-2-methyl-1H-pyrimidin-6-one is CCCCCCNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(hexylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is MNWWXVJNNWLPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-4-5-6-7-12-10-8-11(15)14-9(2)13-10/h8H,3-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-(hexylamino)-2-methyl-1H-pyrimidin-6-one?
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 209.29 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).