5,6-diamino-2-piperidin-1-yl-5H-pyrimidin-4-one

C9H15N5O — CID 77116188

IUPAC5,6-diamino-2-piperidin-1-yl-5H-pyrimidin-4-one
SMILESNC1=NC(N2CCCCC2)=NC(=O)C1N
InChIInChI=1S/C9H15N5O/c10-6-7(11)12-9(13-8(6)15)14-4-2-1-3-5-14/h6H,1-5,10H2,(H2,11,12,13,15)
InChIKeyCSUJMRWPVPDLQD-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.95
Rot. Bonds

About 5,6-diamino-2-piperidin-1-yl-5H-pyrimidin-4-one

5,6-diamino-2-piperidin-1-yl-5H-pyrimidin-4-one (PubChem CID 77116188) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 5,6-diamino-2-piperidin-1-yl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name5,6-diamino-2-piperidin-1-yl-5H-pyrimidin-4-one
PubChem CID77116188
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name5,6-diamino-2-piperidin-1-yl-5H-pyrimidin-4-one
SMILESNC1=NC(N2CCCCC2)=NC(=O)C1N
InChIInChI=1S/C9H15N5O/c10-6-7(11)12-9(13-8(6)15)14-4-2-1-3-5-14/h6H,1-5,10H2,(H2,11,12,13,15)
InChIKeyCSUJMRWPVPDLQD-UHFFFAOYSA-N
XLogP-0.95
TPSA97.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-2-piperidin-1-yl-5H-pyrimidin-4-one?
The IUPAC name of 5,6-diamino-2-piperidin-1-yl-5H-pyrimidin-4-one (CID 77116188) is 5,6-diamino-2-piperidin-1-yl-5H-pyrimidin-4-one.
What is the SMILES notation for 5,6-diamino-2-piperidin-1-yl-5H-pyrimidin-4-one?
The canonical SMILES for 5,6-diamino-2-piperidin-1-yl-5H-pyrimidin-4-one is NC1=NC(N2CCCCC2)=NC(=O)C1N.
What is the InChIKey of 5,6-diamino-2-piperidin-1-yl-5H-pyrimidin-4-one?
The InChIKey is CSUJMRWPVPDLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c10-6-7(11)12-9(13-8(6)15)14-4-2-1-3-5-14/h6H,1-5,10H2,(H2,11,12,13,15).
What are the key properties of 5,6-diamino-2-piperidin-1-yl-5H-pyrimidin-4-one?
5,6-diamino-2-piperidin-1-yl-5H-pyrimidin-4-one has a molecular weight of 209.25 g/mol, XLogP of -0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-2-piperidin-1-yl-5H-pyrimidin-4-one is sourced from PubChem (CID 77116188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).