2-amino-5-hexyl-4-methyl-1H-pyrimidin-6-one

C11H19N3O — CID 135449438

IUPAC2-amino-5-hexyl-4-methyl-1H-pyrimidin-6-one
SMILESCCCCCCc1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C11H19N3O/c1-3-4-5-6-7-9-8(2)13-11(12)14-10(9)15/h3-7H2,1-2H3,(H3,12,13,14,15)
InChIKeyBLHUMPJZJWQBRP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.78
Rot. Bonds5

About 2-amino-5-hexyl-4-methyl-1H-pyrimidin-6-one

2-amino-5-hexyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135449438) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-amino-5-hexyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-hexyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135449438
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-amino-5-hexyl-4-methyl-1H-pyrimidin-6-one
SMILESCCCCCCc1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C11H19N3O/c1-3-4-5-6-7-9-8(2)13-11(12)14-10(9)15/h3-7H2,1-2H3,(H3,12,13,14,15)
InChIKeyBLHUMPJZJWQBRP-UHFFFAOYSA-N
XLogP1.78
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.78
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hexyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-hexyl-4-methyl-1H-pyrimidin-6-one (CID 135449438) is 2-amino-5-hexyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-hexyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-hexyl-4-methyl-1H-pyrimidin-6-one is CCCCCCc1c(C)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-5-hexyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is BLHUMPJZJWQBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-4-5-6-7-9-8(2)13-11(12)14-10(9)15/h3-7H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 2-amino-5-hexyl-4-methyl-1H-pyrimidin-6-one?
2-amino-5-hexyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 209.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hexyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135449438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).