4-(hexylamino)-1-methylpyrimidin-2-one

C11H19N3O — CID 580716

IUPAC4-(hexylamino)-1-methylpyrimidin-2-one
SMILESCCCCCCNc1ccn(C)c(=O)n1
InChIInChI=1S/C11H19N3O/c1-3-4-5-6-8-12-10-7-9-14(2)11(15)13-10/h7,9H,3-6,8H2,1-2H3,(H,12,13,15)
InChIKeyUSKZADYHXFZLOP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.77
Rot. Bonds6

About 4-(hexylamino)-1-methylpyrimidin-2-one

4-(hexylamino)-1-methylpyrimidin-2-one (PubChem CID 580716) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(hexylamino)-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-(hexylamino)-1-methylpyrimidin-2-one
PubChem CID580716
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(hexylamino)-1-methylpyrimidin-2-one
SMILESCCCCCCNc1ccn(C)c(=O)n1
InChIInChI=1S/C11H19N3O/c1-3-4-5-6-8-12-10-7-9-14(2)11(15)13-10/h7,9H,3-6,8H2,1-2H3,(H,12,13,15)
InChIKeyUSKZADYHXFZLOP-UHFFFAOYSA-N
XLogP1.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.77
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-(5-Aminopentylamino)-1-hydroxypyrimidin-2-one
CID 46891066
4-Amino-1-pentylpyrimidin-2-one
CID 20076506
4-Amino-1-hexyl-1H-pyrimidin-2-one
CID 68973119
1-Hexyl-3-(1-hexyl-2-oxopyrimidin-4-yl)urea
CID 68975277
1-Methyl-4-n-butylaminocytosine
CID 580715
1-Methyl-4-ethylaminocytosine
CID 592737
1-Methyl-4-allylaminocytosine
CID 596792
Cosyl hydroxymethylcytosine
CID 129760096
1-Methyl-4-n-propylaminocytosine
CID 580548
1-Methyl-4-cyclohexylaminocytosine
CID 580625
2(1H)-Pyrimidinone, 4-amino-1-octyl-
CID 10398688
1-Ethyl-3-[6-[4-(hexylcarbamoylamino)-2-oxopyrimidin-1-yl]hexyl]urea
CID 57539309

Frequently Asked Questions

What is the IUPAC name of 4-(hexylamino)-1-methylpyrimidin-2-one?
The IUPAC name of 4-(hexylamino)-1-methylpyrimidin-2-one (CID 580716) is 4-(hexylamino)-1-methylpyrimidin-2-one.
What is the SMILES notation for 4-(hexylamino)-1-methylpyrimidin-2-one?
The canonical SMILES for 4-(hexylamino)-1-methylpyrimidin-2-one is CCCCCCNc1ccn(C)c(=O)n1.
What is the InChIKey of 4-(hexylamino)-1-methylpyrimidin-2-one?
The InChIKey is USKZADYHXFZLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-4-5-6-8-12-10-7-9-14(2)11(15)13-10/h7,9H,3-6,8H2,1-2H3,(H,12,13,15).
What are the key properties of 4-(hexylamino)-1-methylpyrimidin-2-one?
4-(hexylamino)-1-methylpyrimidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexylamino)-1-methylpyrimidin-2-one is sourced from PubChem (CID 580716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).