4-(4-phosphanylpiperazin-1-yl)-1H-pyrimidin-6-one

C8H13N4OP — CID 136639749

IUPAC4-(4-phosphanylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCN(P)CC2)nc[nH]1
InChIInChI=1S/C8H13N4OP/c13-8-5-7(9-6-10-8)11-1-3-12(14)4-2-11/h5-6H,1-4,14H2,(H,9,10,13)
InChIKeyHHXQVCOBWWQQSG-UHFFFAOYSA-N
MW212.19 g/mol
LogP-0.32
Rot. Bonds1

About 4-(4-phosphanylpiperazin-1-yl)-1H-pyrimidin-6-one

4-(4-phosphanylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136639749) has the molecular formula C8H13N4OP and a molecular weight of 212.19 g/mol. Its IUPAC name is 4-(4-phosphanylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-phosphanylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID136639749
Molecular FormulaC8H13N4OP
Molecular Weight212.19 g/mol
Exact Mass212.08
IUPAC Name4-(4-phosphanylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCN(P)CC2)nc[nH]1
InChIInChI=1S/C8H13N4OP/c13-8-5-7(9-6-10-8)11-1-3-12(14)4-2-11/h5-6H,1-4,14H2,(H,9,10,13)
InChIKeyHHXQVCOBWWQQSG-UHFFFAOYSA-N
XLogP-0.32
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phosphanylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-phosphanylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 136639749) is 4-(4-phosphanylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-phosphanylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-phosphanylpiperazin-1-yl)-1H-pyrimidin-6-one is O=c1cc(N2CCN(P)CC2)nc[nH]1.
What is the InChIKey of 4-(4-phosphanylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is HHXQVCOBWWQQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N4OP/c13-8-5-7(9-6-10-8)11-1-3-12(14)4-2-11/h5-6H,1-4,14H2,(H,9,10,13).
What are the key properties of 4-(4-phosphanylpiperazin-1-yl)-1H-pyrimidin-6-one?
4-(4-phosphanylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 212.19 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phosphanylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136639749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).