(6S)-2-amino-6-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one

C10H12BrN3OS — CID 59387896

IUPAC(6S)-2-amino-6-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2ccc(Br)s2)N=C1N
InChIInChI=1S/C10H12BrN3OS/c1-10(6-3-4-7(11)16-6)5-8(15)14(2)9(12)13-10/h3-4H,5H2,1-2H3,(H2,12,13)/t10-/m0/s1
InChIKeyAZNZWYLOJJEBFB-JTQLQIEISA-N
MW302.20 g/mol
LogP1.90
Rot. Bonds1

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

(6S)-2-amino-6-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59387896) has the molecular formula C10H12BrN3OS and a molecular weight of 302.20 g/mol. Its IUPAC name is (6S)-2-amino-6-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59387896
Molecular FormulaC10H12BrN3OS
Molecular Weight302.20 g/mol
Exact Mass300.99
IUPAC Name(6S)-2-amino-6-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2ccc(Br)s2)N=C1N
InChIInChI=1S/C10H12BrN3OS/c1-10(6-3-4-7(11)16-6)5-8(15)14(2)9(12)13-10/h3-4H,5H2,1-2H3,(H2,12,13)/t10-/m0/s1
InChIKeyAZNZWYLOJJEBFB-JTQLQIEISA-N
XLogP1.90
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one (CID 59387896) is (6S)-2-amino-6-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(c2ccc(Br)s2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is AZNZWYLOJJEBFB-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12BrN3OS/c1-10(6-3-4-7(11)16-6)5-8(15)14(2)9(12)13-10/h3-4H,5H2,1-2H3,(H2,12,13)/t10-/m0/s1.
What are the key properties of (6S)-2-amino-6-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 302.20 g/mol, XLogP of 1.90, 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-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59387896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).