2-[cyclopentyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetic acid

C13H15N3O2S — CID 60840198

IUPAC2-[cyclopentyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CN(c1ncnc2sccc12)C1CCCC1
InChIInChI=1S/C13H15N3O2S/c17-11(18)7-16(9-3-1-2-4-9)12-10-5-6-19-13(10)15-8-14-12/h5-6,8-9H,1-4,7H2,(H,17,18)
InChIKeyWVZKMZBWGQIIEC-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.52
Rot. Bonds4

About 2-[cyclopentyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetic acid

2-[cyclopentyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetic acid (PubChem CID 60840198) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[cyclopentyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
PubChem CID60840198
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-[cyclopentyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CN(c1ncnc2sccc12)C1CCCC1
InChIInChI=1S/C13H15N3O2S/c17-11(18)7-16(9-3-1-2-4-9)12-10-5-6-19-13(10)15-8-14-12/h5-6,8-9H,1-4,7H2,(H,17,18)
InChIKeyWVZKMZBWGQIIEC-UHFFFAOYSA-N
XLogP2.52
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 54999057
N-cyclopropyl-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 56799553
2-[thieno[2,3-d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258648
2-[cyclopropyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetic acid
CID 62832412
N-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 107174233
2-[cyclopentyl(pyrazin-2-yl)amino]acetic acid
CID 60838829
2-[cyclopentyl(pyridin-3-yl)amino]acetic acid
CID 83822381
N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 3249198
2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid
CID 115596203
N-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 8566631
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-2-carboxylic acid
CID 43140039
2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid
CID 64616447

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetic acid (CID 60840198) is 2-[cyclopentyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetic acid is O=C(O)CN(c1ncnc2sccc12)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The InChIKey is WVZKMZBWGQIIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-11(18)7-16(9-3-1-2-4-9)12-10-5-6-19-13(10)15-8-14-12/h5-6,8-9H,1-4,7H2,(H,17,18).
What are the key properties of 2-[cyclopentyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
2-[cyclopentyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetic acid has a molecular weight of 277.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 60840198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).