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

C19H19N3OS2 — CID 70134091

IUPAC(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one
SMILESCc1ccc(-c2csc3ccc([C@]4(C)CC(=O)N(C)C(N)=N4)cc23)s1
InChIInChI=1S/C19H19N3OS2/c1-11-4-6-16(25-11)14-10-24-15-7-5-12(8-13(14)15)19(2)9-17(23)22(3)18(20)21-19/h4-8,10H,9H2,1-3H3,(H2,20,21)/t19-/m0/s1
InChIKeyDPMIUKZPEVBZQA-IBGZPJMESA-N
MW369.52 g/mol
LogP4.33
Rot. Bonds2

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

(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one (PubChem CID 70134091) has the molecular formula C19H19N3OS2 and a molecular weight of 369.52 g/mol. Its IUPAC name is (6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one
PubChem CID70134091
Molecular FormulaC19H19N3OS2
Molecular Weight369.52 g/mol
Exact Mass369.10
IUPAC Name(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one
SMILESCc1ccc(-c2csc3ccc([C@]4(C)CC(=O)N(C)C(N)=N4)cc23)s1
InChIInChI=1S/C19H19N3OS2/c1-11-4-6-16(25-11)14-10-24-15-7-5-12(8-13(14)15)19(2)9-17(23)22(3)18(20)21-19/h4-8,10H,9H2,1-3H3,(H2,20,21)/t19-/m0/s1
InChIKeyDPMIUKZPEVBZQA-IBGZPJMESA-N
XLogP4.33
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one (CID 70134091) is (6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one is Cc1ccc(-c2csc3ccc([C@]4(C)CC(=O)N(C)C(N)=N4)cc23)s1.
What is the InChIKey of (6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one?
The InChIKey is DPMIUKZPEVBZQA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19N3OS2/c1-11-4-6-16(25-11)14-10-24-15-7-5-12(8-13(14)15)19(2)9-17(23)22(3)18(20)21-19/h4-8,10H,9H2,1-3H3,(H2,20,21)/t19-/m0/s1.
What are the key properties of (6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one?
(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one has a molecular weight of 369.52 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one is sourced from PubChem (CID 70134091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).