2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-thiophen-2-ylacetic acid

C13H13N3O2S — CID 115284540

IUPAC2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(Nc1ncnc2c1CCC2)c1cccs1
InChIInChI=1S/C13H13N3O2S/c17-13(18)11(10-5-2-6-19-10)16-12-8-3-1-4-9(8)14-7-15-12/h2,5-7,11H,1,3-4H2,(H,17,18)(H,14,15,16)
InChIKeyHNQZBSNXEJXVMU-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.26
Rot. Bonds4

About 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-thiophen-2-ylacetic acid

2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-thiophen-2-ylacetic acid (PubChem CID 115284540) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-thiophen-2-ylacetic acid
PubChem CID115284540
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(Nc1ncnc2c1CCC2)c1cccs1
InChIInChI=1S/C13H13N3O2S/c17-13(18)11(10-5-2-6-19-10)16-12-8-3-1-4-9(8)14-7-15-12/h2,5-7,11H,1,3-4H2,(H,17,18)(H,14,15,16)
InChIKeyHNQZBSNXEJXVMU-UHFFFAOYSA-N
XLogP2.26
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-thiophen-2-ylpropan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184676
2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284503
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide
CID 103850263
methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate
CID 62831506
2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284521
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid
CID 62833489
[4-[[(2S)-1-methoxypropan-2-yl]amino]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-thiophen-2-ylmethanone
CID 95871179
2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284584
2-[(6-propoxypyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284507
2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284414
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methylsulfanylbenzamide
CID 16953555
N-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide
CID 115701936

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-thiophen-2-ylacetic acid (CID 115284540) is 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-thiophen-2-ylacetic acid is O=C(O)C(Nc1ncnc2c1CCC2)c1cccs1.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-thiophen-2-ylacetic acid?
The InChIKey is HNQZBSNXEJXVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-13(18)11(10-5-2-6-19-10)16-12-8-3-1-4-9(8)14-7-15-12/h2,5-7,11H,1,3-4H2,(H,17,18)(H,14,15,16).
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-thiophen-2-ylacetic acid?
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-thiophen-2-ylacetic acid has a molecular weight of 275.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).