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

C11H15N5OS — CID 39161916

IUPACN-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCc1cc2c(NCC(=O)NCCN)ncnc2s1
InChIInChI=1S/C11H15N5OS/c1-7-4-8-10(15-6-16-11(8)18-7)14-5-9(17)13-3-2-12/h4,6H,2-3,5,12H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyZXVWYALYRLAEFR-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.49
Rot. Bonds5

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

N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 39161916) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
PubChem CID39161916
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC NameN-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCc1cc2c(NCC(=O)NCCN)ncnc2s1
InChIInChI=1S/C11H15N5OS/c1-7-4-8-10(15-6-16-11(8)18-7)14-5-9(17)13-3-2-12/h4,6H,2-3,5,12H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyZXVWYALYRLAEFR-UHFFFAOYSA-N
XLogP0.49
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (CID 39161916) is N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is Cc1cc2c(NCC(=O)NCCN)ncnc2s1.
What is the InChIKey of N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is ZXVWYALYRLAEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-7-4-8-10(15-6-16-11(8)18-7)14-5-9(17)13-3-2-12/h4,6H,2-3,5,12H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 265.34 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 39161916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).