2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide

C12H16N4OS — CID 39084793

IUPAC2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCc1cc2c(NCC(=O)NC(C)C)ncnc2s1
InChIInChI=1S/C12H16N4OS/c1-7(2)16-10(17)5-13-11-9-4-8(3)18-12(9)15-6-14-11/h4,6-7H,5H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyRLRGYIIKICIZGK-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.94
Rot. Bonds4

About 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide

2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide (PubChem CID 39084793) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide
PubChem CID39084793
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCc1cc2c(NCC(=O)NC(C)C)ncnc2s1
InChIInChI=1S/C12H16N4OS/c1-7(2)16-10(17)5-13-11-9-4-8(3)18-12(9)15-6-14-11/h4,6-7H,5H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyRLRGYIIKICIZGK-UHFFFAOYSA-N
XLogP1.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide (CID 39084793) is 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide is Cc1cc2c(NCC(=O)NC(C)C)ncnc2s1.
What is the InChIKey of 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is RLRGYIIKICIZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7(2)16-10(17)5-13-11-9-4-8(3)18-12(9)15-6-14-11/h4,6-7H,5H2,1-3H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 264.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 39084793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).