2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid

C15H20N4O3S — CID 82033138

IUPAC2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)CNc1ncnc2sc(C)c(C)c12)C(=O)O
InChIInChI=1S/C15H20N4O3S/c1-4-5-10(15(21)22)19-11(20)6-16-13-12-8(2)9(3)23-14(12)18-7-17-13/h7,10H,4-6H2,1-3H3,(H,19,20)(H,21,22)(H,16,17,18)
InChIKeyLXVYHSNZSAGZOU-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.09
Rot. Bonds7

About 2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid

2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid (PubChem CID 82033138) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid
PubChem CID82033138
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)CNc1ncnc2sc(C)c(C)c12)C(=O)O
InChIInChI=1S/C15H20N4O3S/c1-4-5-10(15(21)22)19-11(20)6-16-13-12-8(2)9(3)23-14(12)18-7-17-13/h7,10H,4-6H2,1-3H3,(H,19,20)(H,21,22)(H,16,17,18)
InChIKeyLXVYHSNZSAGZOU-UHFFFAOYSA-N
XLogP2.09
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid (CID 82033138) is 2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid is CCCC(NC(=O)CNc1ncnc2sc(C)c(C)c12)C(=O)O.
What is the InChIKey of 2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid?
The InChIKey is LXVYHSNZSAGZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-4-5-10(15(21)22)19-11(20)6-16-13-12-8(2)9(3)23-14(12)18-7-17-13/h7,10H,4-6H2,1-3H3,(H,19,20)(H,21,22)(H,16,17,18).
What are the key properties of 2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid?
2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid has a molecular weight of 336.42 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 82033138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).