2-amino-N-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethyl]acetamide

C12H15N5O3S — CID 135968768

About 2-amino-N-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethyl]acetamide

2-amino-N-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethyl]acetamide (PubChem CID 135968768) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-amino-N-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: 2-amino-N-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethyl]acetamide
• PubChem CID: 135968768
• Molecular Formula: C12H15N5O3S
• Molecular Weight: 309.35 g/mol
• Exact Mass: 309.09
• IUPAC Name: 2-amino-N-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethyl]acetamide
• SMILES: CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CNC(=O)CN
• InChI: InChI=1S/C12H15N5O3S/c1-17(10(19)5-14-9(18)4-13)6-8-15-7-2-3-21-11(7)12(20)16-8/h2-3H,4-6,13H2,1H3,(H,14,18)(H,15,16,20)
• InChIKey: WCKWVZOVFOEQST-UHFFFAOYSA-N
• XLogP: -0.98
• TPSA: 121.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.35
LogP ≤ 5	-0.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethyl]acetamide?

The IUPAC name of 2-amino-N-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethyl]acetamide (CID 135968768) is 2-amino-N-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethyl]acetamide.

What is the SMILES notation for 2-amino-N-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethyl]acetamide?

The canonical SMILES for 2-amino-N-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethyl]acetamide is CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CNC(=O)CN.

What is the InChIKey of 2-amino-N-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethyl]acetamide?

The InChIKey is WCKWVZOVFOEQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-17(10(19)5-14-9(18)4-13)6-8-15-7-2-3-21-11(7)12(20)16-8/h2-3H,4-6,13H2,1H3,(H,14,18)(H,15,16,20).

What are the key properties of 2-amino-N-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethyl]acetamide?

2-amino-N-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethyl]acetamide has a molecular weight of 309.35 g/mol, XLogP of -0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 135968768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).