4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one

C13H17N5OS — CID 103330831

IUPAC4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
SMILESCc1cc2c(N3CCCN(C)C(=O)C3)nc(N)nc2s1
InChIInChI=1S/C13H17N5OS/c1-8-6-9-11(15-13(14)16-12(9)20-8)18-5-3-4-17(2)10(19)7-18/h6H,3-5,7H2,1-2H3,(H2,14,15,16)
InChIKeyHKSSNHPVAGEKJO-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.25
Rot. Bonds1

About 4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one

4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one (PubChem CID 103330831) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
PubChem CID103330831
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
SMILESCc1cc2c(N3CCCN(C)C(=O)C3)nc(N)nc2s1
InChIInChI=1S/C13H17N5OS/c1-8-6-9-11(15-13(14)16-12(9)20-8)18-5-3-4-17(2)10(19)7-18/h6H,3-5,7H2,1-2H3,(H2,14,15,16)
InChIKeyHKSSNHPVAGEKJO-UHFFFAOYSA-N
XLogP1.25
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one with MolForge

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Related Compounds

6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327825
6-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323793
4-(4,4-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327461
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103328315
1-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 103323254
4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102887852
4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 130547955
6-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103329856
1-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 103323978
4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80844331
4-[3-(diethylamino)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327595
6-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103329876

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one (CID 103330831) is 4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one is Cc1cc2c(N3CCCN(C)C(=O)C3)nc(N)nc2s1.
What is the InChIKey of 4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is HKSSNHPVAGEKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-8-6-9-11(15-13(14)16-12(9)20-8)18-5-3-4-17(2)10(19)7-18/h6H,3-5,7H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one?
4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 291.38 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 103330831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).