2-[1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclobutyl]acetic acid

C12H13N3O2S — CID 79845929

IUPAC2-[1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(Nc2ncnc3ccsc23)CCC1
InChIInChI=1S/C12H13N3O2S/c16-9(17)6-12(3-1-4-12)15-11-10-8(2-5-18-10)13-7-14-11/h2,5,7H,1,3-4,6H2,(H,16,17)(H,13,14,15)
InChIKeyZXHSOVRHLLWDKN-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.50
Rot. Bonds4

About 2-[1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclobutyl]acetic acid

2-[1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclobutyl]acetic acid (PubChem CID 79845929) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclobutyl]acetic acid
PubChem CID79845929
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-[1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(Nc2ncnc3ccsc23)CCC1
InChIInChI=1S/C12H13N3O2S/c16-9(17)6-12(3-1-4-12)15-11-10-8(2-5-18-10)13-7-14-11/h2,5,7H,1,3-4,6H2,(H,16,17)(H,13,14,15)
InChIKeyZXHSOVRHLLWDKN-UHFFFAOYSA-N
XLogP2.50
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclobutyl]acetic acid (CID 79845929) is 2-[1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclobutyl]acetic acid is O=C(O)CC1(Nc2ncnc3ccsc23)CCC1.
What is the InChIKey of 2-[1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclobutyl]acetic acid?
The InChIKey is ZXHSOVRHLLWDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-9(17)6-12(3-1-4-12)15-11-10-8(2-5-18-10)13-7-14-11/h2,5,7H,1,3-4,6H2,(H,16,17)(H,13,14,15).
What are the key properties of 2-[1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclobutyl]acetic acid?
2-[1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclobutyl]acetic acid has a molecular weight of 263.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79845929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).