(6S)-2-amino-6-(8-cyclopropyldibenzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one

C21H21N3OS — CID 122647725

IUPAC(6S)-2-amino-6-(8-cyclopropyldibenzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2ccc3sc4ccc(C5CC5)cc4c3c2)N=C1N
InChIInChI=1S/C21H21N3OS/c1-21(11-19(25)24(2)20(22)23-21)14-6-8-18-16(10-14)15-9-13(12-3-4-12)5-7-17(15)26-18/h5-10,12H,3-4,11H2,1-2H3,(H2,22,23)/t21-/m0/s1
InChIKeyDENJMMZPAUEECX-NRFANRHFSA-N
MW363.49 g/mol
LogP4.32
Rot. Bonds2

About (6S)-2-amino-6-(8-cyclopropyldibenzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-(8-cyclopropyldibenzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 122647725) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is (6S)-2-amino-6-(8-cyclopropyldibenzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-(8-cyclopropyldibenzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID122647725
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name(6S)-2-amino-6-(8-cyclopropyldibenzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2ccc3sc4ccc(C5CC5)cc4c3c2)N=C1N
InChIInChI=1S/C21H21N3OS/c1-21(11-19(25)24(2)20(22)23-21)14-6-8-18-16(10-14)15-9-13(12-3-4-12)5-7-17(15)26-18/h5-10,12H,3-4,11H2,1-2H3,(H2,22,23)/t21-/m0/s1
InChIKeyDENJMMZPAUEECX-NRFANRHFSA-N
XLogP4.32
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-2-amino-6-(8-cyclopropyldibenzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-(8-cyclopropyldibenzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-(8-cyclopropyldibenzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one (CID 122647725) is (6S)-2-amino-6-(8-cyclopropyldibenzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-(8-cyclopropyldibenzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-(8-cyclopropyldibenzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(c2ccc3sc4ccc(C5CC5)cc4c3c2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-(8-cyclopropyldibenzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is DENJMMZPAUEECX-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-21(11-19(25)24(2)20(22)23-21)14-6-8-18-16(10-14)15-9-13(12-3-4-12)5-7-17(15)26-18/h5-10,12H,3-4,11H2,1-2H3,(H2,22,23)/t21-/m0/s1.
What are the key properties of (6S)-2-amino-6-(8-cyclopropyldibenzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-(8-cyclopropyldibenzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 363.49 g/mol, XLogP of 4.32, 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-(8-cyclopropyldibenzothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 122647725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).