7-methyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one

C17H24N4OS — CID 56803867

IUPAC7-methyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one
SMILESCc1nc(N2CCNC(=O)CC2C)c2c(CC(C)C)csc2n1
InChIInChI=1S/C17H24N4OS/c1-10(2)7-13-9-23-17-15(13)16(19-12(4)20-17)21-6-5-18-14(22)8-11(21)3/h9-11H,5-8H2,1-4H3,(H,18,22)
InChIKeyJSQSNYPQOZLSDN-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.91
Rot. Bonds3

About 7-methyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one

7-methyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one (PubChem CID 56803867) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 7-methyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name7-methyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one
PubChem CID56803867
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name7-methyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one
SMILESCc1nc(N2CCNC(=O)CC2C)c2c(CC(C)C)csc2n1
InChIInChI=1S/C17H24N4OS/c1-10(2)7-13-9-23-17-15(13)16(19-12(4)20-17)21-6-5-18-14(22)8-11(21)3/h9-11H,5-8H2,1-4H3,(H,18,22)
InChIKeyJSQSNYPQOZLSDN-UHFFFAOYSA-N
XLogP2.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one?
The IUPAC name of 7-methyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one (CID 56803867) is 7-methyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one.
What is the SMILES notation for 7-methyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one?
The canonical SMILES for 7-methyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one is Cc1nc(N2CCNC(=O)CC2C)c2c(CC(C)C)csc2n1.
What is the InChIKey of 7-methyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one?
The InChIKey is JSQSNYPQOZLSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-10(2)7-13-9-23-17-15(13)16(19-12(4)20-17)21-6-5-18-14(22)8-11(21)3/h9-11H,5-8H2,1-4H3,(H,18,22).
What are the key properties of 7-methyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one?
7-methyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one has a molecular weight of 332.47 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one is sourced from PubChem (CID 56803867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).