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

C15H17N3OS — CID 59387047

IUPAC(6S)-2-amino-3,6-dimethyl-6-(3-methyl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one
SMILESCc1csc2ccc([C@]3(C)CC(=O)N(C)C(N)=N3)cc12
InChIInChI=1S/C15H17N3OS/c1-9-8-20-12-5-4-10(6-11(9)12)15(2)7-13(19)18(3)14(16)17-15/h4-6,8H,7H2,1-3H3,(H2,16,17)/t15-/m0/s1
InChIKeyVSUWPNJRPHRMBX-HNNXBMFYSA-N
MW287.39 g/mol
LogP2.60
Rot. Bonds1

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

(6S)-2-amino-3,6-dimethyl-6-(3-methyl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one (PubChem CID 59387047) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is (6S)-2-amino-3,6-dimethyl-6-(3-methyl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-3,6-dimethyl-6-(3-methyl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one
PubChem CID59387047
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name(6S)-2-amino-3,6-dimethyl-6-(3-methyl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one
SMILESCc1csc2ccc([C@]3(C)CC(=O)N(C)C(N)=N3)cc12
InChIInChI=1S/C15H17N3OS/c1-9-8-20-12-5-4-10(6-11(9)12)15(2)7-13(19)18(3)14(16)17-15/h4-6,8H,7H2,1-3H3,(H2,16,17)/t15-/m0/s1
InChIKeyVSUWPNJRPHRMBX-HNNXBMFYSA-N
XLogP2.60
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-2-amino-3,6-dimethyl-6-(3-methyl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one with MolForge

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Related Compounds

3-{5-[(2e,4s)-2-Imino-1,4-Dimethyl-6-Oxohexahydropyrimidin-4-Yl]thiophen-3-Yl}benzonitrile
CID 11631207
3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile
CID 59262455
3-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile
CID 59387262
3-[[(4S)-2-amino-4-(1-benzothiophen-5-yl)-4-methyl-6-oxo-5H-pyrimidin-1-yl]methyl]-N-benzylbenzamide
CID 70132509
US10870635, Example 94
CID 122641603
US10870635, Example 72
CID 122641630
US10870635, Example 105
CID 122641684
US10870635, Example 87
CID 122641622
US10870635, Example 1
CID 122641635
US10870635, Example 86
CID 122641670
US10870635, Example 90
CID 122647725
US10870635, Example 80
CID 140886467

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-3,6-dimethyl-6-(3-methyl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-3,6-dimethyl-6-(3-methyl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one (CID 59387047) is (6S)-2-amino-3,6-dimethyl-6-(3-methyl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-3,6-dimethyl-6-(3-methyl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-3,6-dimethyl-6-(3-methyl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one is Cc1csc2ccc([C@]3(C)CC(=O)N(C)C(N)=N3)cc12.
What is the InChIKey of (6S)-2-amino-3,6-dimethyl-6-(3-methyl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one?
The InChIKey is VSUWPNJRPHRMBX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-9-8-20-12-5-4-10(6-11(9)12)15(2)7-13(19)18(3)14(16)17-15/h4-6,8H,7H2,1-3H3,(H2,16,17)/t15-/m0/s1.
What are the key properties of (6S)-2-amino-3,6-dimethyl-6-(3-methyl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one?
(6S)-2-amino-3,6-dimethyl-6-(3-methyl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one has a molecular weight of 287.39 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-3,6-dimethyl-6-(3-methyl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one is sourced from PubChem (CID 59387047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).