(6S)-2-amino-6-(6-bromo-2-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one

C11H13BrN4O — CID 11514897

IUPAC(6S)-2-amino-6-(6-bromo-2-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2cccc(Br)n2)N=C1N
InChIInChI=1S/C11H13BrN4O/c1-11(7-4-3-5-8(12)14-7)6-9(17)16(2)10(13)15-11/h3-5H,6H2,1-2H3,(H2,13,15)/t11-/m0/s1
InChIKeyASLIJJNBOPOWAL-NSHDSACASA-N
MW297.16 g/mol
LogP1.24
Rot. Bonds1

About (6S)-2-amino-6-(6-bromo-2-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-(6-bromo-2-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 11514897) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is (6S)-2-amino-6-(6-bromo-2-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-(6-bromo-2-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID11514897
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name(6S)-2-amino-6-(6-bromo-2-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2cccc(Br)n2)N=C1N
InChIInChI=1S/C11H13BrN4O/c1-11(7-4-3-5-8(12)14-7)6-9(17)16(2)10(13)15-11/h3-5H,6H2,1-2H3,(H2,13,15)/t11-/m0/s1
InChIKeyASLIJJNBOPOWAL-NSHDSACASA-N
XLogP1.24
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-(6-bromo-2-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-(6-bromo-2-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one (CID 11514897) is (6S)-2-amino-6-(6-bromo-2-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-(6-bromo-2-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-(6-bromo-2-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(c2cccc(Br)n2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-(6-bromo-2-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is ASLIJJNBOPOWAL-NSHDSACASA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-11(7-4-3-5-8(12)14-7)6-9(17)16(2)10(13)15-11/h3-5H,6H2,1-2H3,(H2,13,15)/t11-/m0/s1.
What are the key properties of (6S)-2-amino-6-(6-bromo-2-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-(6-bromo-2-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 297.16 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-(6-bromo-2-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 11514897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).