2-(dimethylamino)-4-hexyl-1H-pyrimidin-6-one

C12H21N3O — CID 135698515

IUPAC2-(dimethylamino)-4-hexyl-1H-pyrimidin-6-one
SMILESCCCCCCc1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C12H21N3O/c1-4-5-6-7-8-10-9-11(16)14-12(13-10)15(2)3/h9H,4-8H2,1-3H3,(H,13,14,16)
InChIKeyMYNUZHBPSPQEEH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.96
Rot. Bonds6

About 2-(dimethylamino)-4-hexyl-1H-pyrimidin-6-one

2-(dimethylamino)-4-hexyl-1H-pyrimidin-6-one (PubChem CID 135698515) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(dimethylamino)-4-hexyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-hexyl-1H-pyrimidin-6-one
PubChem CID135698515
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(dimethylamino)-4-hexyl-1H-pyrimidin-6-one
SMILESCCCCCCc1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C12H21N3O/c1-4-5-6-7-8-10-9-11(16)14-12(13-10)15(2)3/h9H,4-8H2,1-3H3,(H,13,14,16)
InChIKeyMYNUZHBPSPQEEH-UHFFFAOYSA-N
XLogP1.96
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
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-(dimethylamino)-4-hexyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-hexyl-1H-pyrimidin-6-one (CID 135698515) is 2-(dimethylamino)-4-hexyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-hexyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-hexyl-1H-pyrimidin-6-one is CCCCCCc1cc(=O)[nH]c(N(C)C)n1.
What is the InChIKey of 2-(dimethylamino)-4-hexyl-1H-pyrimidin-6-one?
The InChIKey is MYNUZHBPSPQEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-5-6-7-8-10-9-11(16)14-12(13-10)15(2)3/h9H,4-8H2,1-3H3,(H,13,14,16).
What are the key properties of 2-(dimethylamino)-4-hexyl-1H-pyrimidin-6-one?
2-(dimethylamino)-4-hexyl-1H-pyrimidin-6-one has a molecular weight of 223.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-hexyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135698515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).