5,6-diamino-3-cyclopentyl-1H-pyrimidine-2,4-dione

C9H14N4O2 — CID 11830694

IUPAC5,6-diamino-3-cyclopentyl-1H-pyrimidine-2,4-dione
SMILESNc1[nH]c(=O)n(C2CCCC2)c(=O)c1N
InChIInChI=1S/C9H14N4O2/c10-6-7(11)12-9(15)13(8(6)14)5-3-1-2-4-5/h5H,1-4,10-11H2,(H,12,15)
InChIKeyKOFDGZMEBAVMSB-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.18
Rot. Bonds1

About 5,6-diamino-3-cyclopentyl-1H-pyrimidine-2,4-dione

5,6-diamino-3-cyclopentyl-1H-pyrimidine-2,4-dione (PubChem CID 11830694) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5,6-diamino-3-cyclopentyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-diamino-3-cyclopentyl-1H-pyrimidine-2,4-dione
PubChem CID11830694
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5,6-diamino-3-cyclopentyl-1H-pyrimidine-2,4-dione
SMILESNc1[nH]c(=O)n(C2CCCC2)c(=O)c1N
InChIInChI=1S/C9H14N4O2/c10-6-7(11)12-9(15)13(8(6)14)5-3-1-2-4-5/h5H,1-4,10-11H2,(H,12,15)
InChIKeyKOFDGZMEBAVMSB-UHFFFAOYSA-N
XLogP-0.18
TPSA106.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-3-cyclopentyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5,6-diamino-3-cyclopentyl-1H-pyrimidine-2,4-dione (CID 11830694) is 5,6-diamino-3-cyclopentyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5,6-diamino-3-cyclopentyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5,6-diamino-3-cyclopentyl-1H-pyrimidine-2,4-dione is Nc1[nH]c(=O)n(C2CCCC2)c(=O)c1N.
What is the InChIKey of 5,6-diamino-3-cyclopentyl-1H-pyrimidine-2,4-dione?
The InChIKey is KOFDGZMEBAVMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-6-7(11)12-9(15)13(8(6)14)5-3-1-2-4-5/h5H,1-4,10-11H2,(H,12,15).
What are the key properties of 5,6-diamino-3-cyclopentyl-1H-pyrimidine-2,4-dione?
5,6-diamino-3-cyclopentyl-1H-pyrimidine-2,4-dione has a molecular weight of 210.24 g/mol, XLogP of -0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-3-cyclopentyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11830694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).