(6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-phenyl-5H-pyrimidin-4-one

C19H17N3OS — CID 59388837

IUPAC(6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-phenyl-5H-pyrimidin-4-one
SMILESC[C@@]1(c2ccc3sccc3c2)CC(=O)N(c2ccccc2)C(N)=N1
InChIInChI=1S/C19H17N3OS/c1-19(14-7-8-16-13(11-14)9-10-24-16)12-17(23)22(18(20)21-19)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H2,20,21)/t19-/m0/s1
InChIKeyHXTWWKGAKBXSCV-IBGZPJMESA-N
MW335.43 g/mol
LogP3.87
Rot. Bonds2

About (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-phenyl-5H-pyrimidin-4-one

(6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-phenyl-5H-pyrimidin-4-one (PubChem CID 59388837) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-phenyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-phenyl-5H-pyrimidin-4-one
PubChem CID59388837
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name(6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-phenyl-5H-pyrimidin-4-one
SMILESC[C@@]1(c2ccc3sccc3c2)CC(=O)N(c2ccccc2)C(N)=N1
InChIInChI=1S/C19H17N3OS/c1-19(14-7-8-16-13(11-14)9-10-24-16)12-17(23)22(18(20)21-19)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H2,20,21)/t19-/m0/s1
InChIKeyHXTWWKGAKBXSCV-IBGZPJMESA-N
XLogP3.87
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.87
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-(1-benzothiophen-5-yl)-6-methyl-3-phenyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-phenyl-5H-pyrimidin-4-one (CID 59388837) is (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-phenyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-phenyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-phenyl-5H-pyrimidin-4-one is C[C@@]1(c2ccc3sccc3c2)CC(=O)N(c2ccccc2)C(N)=N1.
What is the InChIKey of (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-phenyl-5H-pyrimidin-4-one?
The InChIKey is HXTWWKGAKBXSCV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17N3OS/c1-19(14-7-8-16-13(11-14)9-10-24-16)12-17(23)22(18(20)21-19)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H2,20,21)/t19-/m0/s1.
What are the key properties of (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-phenyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-phenyl-5H-pyrimidin-4-one has a molecular weight of 335.43 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-(1-benzothiophen-5-yl)-6-methyl-3-phenyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59388837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).