2-(1-aminocyclopentyl)-4-thiophen-2-yl-1H-pyrimidin-6-one

C13H15N3OS — CID 135966771

IUPAC2-(1-aminocyclopentyl)-4-thiophen-2-yl-1H-pyrimidin-6-one
SMILESNC1(c2nc(-c3cccs3)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C13H15N3OS/c14-13(5-1-2-6-13)12-15-9(8-11(17)16-12)10-4-3-7-18-10/h3-4,7-8H,1-2,5-6,14H2,(H,15,16,17)
InChIKeyOCFAWYAUWHUWFU-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.23
Rot. Bonds2

About 2-(1-aminocyclopentyl)-4-thiophen-2-yl-1H-pyrimidin-6-one

2-(1-aminocyclopentyl)-4-thiophen-2-yl-1H-pyrimidin-6-one (PubChem CID 135966771) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-4-thiophen-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-4-thiophen-2-yl-1H-pyrimidin-6-one
PubChem CID135966771
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-(1-aminocyclopentyl)-4-thiophen-2-yl-1H-pyrimidin-6-one
SMILESNC1(c2nc(-c3cccs3)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C13H15N3OS/c14-13(5-1-2-6-13)12-15-9(8-11(17)16-12)10-4-3-7-18-10/h3-4,7-8H,1-2,5-6,14H2,(H,15,16,17)
InChIKeyOCFAWYAUWHUWFU-UHFFFAOYSA-N
XLogP2.23
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-4-thiophen-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminocyclopentyl)-4-thiophen-2-yl-1H-pyrimidin-6-one (CID 135966771) is 2-(1-aminocyclopentyl)-4-thiophen-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminocyclopentyl)-4-thiophen-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminocyclopentyl)-4-thiophen-2-yl-1H-pyrimidin-6-one is NC1(c2nc(-c3cccs3)cc(=O)[nH]2)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-4-thiophen-2-yl-1H-pyrimidin-6-one?
The InChIKey is OCFAWYAUWHUWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c14-13(5-1-2-6-13)12-15-9(8-11(17)16-12)10-4-3-7-18-10/h3-4,7-8H,1-2,5-6,14H2,(H,15,16,17).
What are the key properties of 2-(1-aminocyclopentyl)-4-thiophen-2-yl-1H-pyrimidin-6-one?
2-(1-aminocyclopentyl)-4-thiophen-2-yl-1H-pyrimidin-6-one has a molecular weight of 261.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-4-thiophen-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135966771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).