2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide

C15H22N4OS — CID 39085002

IUPAC2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCCc1cc2c(NCC(=O)NCC(C)C)nc(C)nc2s1
InChIInChI=1S/C15H22N4OS/c1-5-11-6-12-14(18-10(4)19-15(12)21-11)17-8-13(20)16-7-9(2)3/h6,9H,5,7-8H2,1-4H3,(H,16,20)(H,17,18,19)
InChIKeyUWNDFDFMJYHUIC-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.75
Rot. Bonds6

About 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide

2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 39085002) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
PubChem CID39085002
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCCc1cc2c(NCC(=O)NCC(C)C)nc(C)nc2s1
InChIInChI=1S/C15H22N4OS/c1-5-11-6-12-14(18-10(4)19-15(12)21-11)17-8-13(20)16-7-9(2)3/h6,9H,5,7-8H2,1-4H3,(H,16,20)(H,17,18,19)
InChIKeyUWNDFDFMJYHUIC-UHFFFAOYSA-N
XLogP2.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide (CID 39085002) is 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide is CCc1cc2c(NCC(=O)NCC(C)C)nc(C)nc2s1.
What is the InChIKey of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is UWNDFDFMJYHUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-5-11-6-12-14(18-10(4)19-15(12)21-11)17-8-13(20)16-7-9(2)3/h6,9H,5,7-8H2,1-4H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 306.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 39085002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).