6-amino-3-cyclopentyl-1H-pyrimidine-2,4-dione

C9H13N3O2 — CID 10954466

IUPAC6-amino-3-cyclopentyl-1H-pyrimidine-2,4-dione
SMILESNc1cc(=O)n(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c10-7-5-8(13)12(9(14)11-7)6-3-1-2-4-6/h5-6H,1-4,10H2,(H,11,14)
InChIKeyKGCHLBWYMGOZFI-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.23
Rot. Bonds1

About 6-amino-3-cyclopentyl-1H-pyrimidine-2,4-dione

6-amino-3-cyclopentyl-1H-pyrimidine-2,4-dione (PubChem CID 10954466) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-amino-3-cyclopentyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-cyclopentyl-1H-pyrimidine-2,4-dione
PubChem CID10954466
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name6-amino-3-cyclopentyl-1H-pyrimidine-2,4-dione
SMILESNc1cc(=O)n(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c10-7-5-8(13)12(9(14)11-7)6-3-1-2-4-6/h5-6H,1-4,10H2,(H,11,14)
InChIKeyKGCHLBWYMGOZFI-UHFFFAOYSA-N
XLogP0.23
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-cyclopentyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-cyclopentyl-1H-pyrimidine-2,4-dione (CID 10954466) is 6-amino-3-cyclopentyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-cyclopentyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-cyclopentyl-1H-pyrimidine-2,4-dione is Nc1cc(=O)n(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 6-amino-3-cyclopentyl-1H-pyrimidine-2,4-dione?
The InChIKey is KGCHLBWYMGOZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-7-5-8(13)12(9(14)11-7)6-3-1-2-4-6/h5-6H,1-4,10H2,(H,11,14).
What are the key properties of 6-amino-3-cyclopentyl-1H-pyrimidine-2,4-dione?
6-amino-3-cyclopentyl-1H-pyrimidine-2,4-dione has a molecular weight of 195.22 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-cyclopentyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10954466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).