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

C13H19N5OS — CID 39162372

IUPACN-(2-aminoethyl)-2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
SMILESCc1cc2c(NC(C)(C)C(=O)NCCN)ncnc2s1
InChIInChI=1S/C13H19N5OS/c1-8-6-9-10(16-7-17-11(9)20-8)18-13(2,3)12(19)15-5-4-14/h6-7H,4-5,14H2,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyKXTHFKWOVXNSOL-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.27
Rot. Bonds5

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

N-(2-aminoethyl)-2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide (PubChem CID 39162372) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
PubChem CID39162372
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-(2-aminoethyl)-2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
SMILESCc1cc2c(NC(C)(C)C(=O)NCCN)ncnc2s1
InChIInChI=1S/C13H19N5OS/c1-8-6-9-10(16-7-17-11(9)20-8)18-13(2,3)12(19)15-5-4-14/h6-7H,4-5,14H2,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyKXTHFKWOVXNSOL-UHFFFAOYSA-N
XLogP1.27
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.27
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-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-(2-aminoethyl)-2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide (CID 39162372) is N-(2-aminoethyl)-2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-(2-aminoethyl)-2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-(2-aminoethyl)-2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide is Cc1cc2c(NC(C)(C)C(=O)NCCN)ncnc2s1.
What is the InChIKey of N-(2-aminoethyl)-2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The InChIKey is KXTHFKWOVXNSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-8-6-9-10(16-7-17-11(9)20-8)18-13(2,3)12(19)15-5-4-14/h6-7H,4-5,14H2,1-3H3,(H,15,19)(H,16,17,18).
What are the key properties of N-(2-aminoethyl)-2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
N-(2-aminoethyl)-2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide has a molecular weight of 293.40 g/mol, XLogP of 1.27, 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-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 39162372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).