2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one

C10H16N3OP — CID 18726933

IUPAC2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(CC2CCN(P)CC2)[nH]1
InChIInChI=1S/C10H16N3OP/c14-10-1-4-11-9(12-10)7-8-2-5-13(15)6-3-8/h1,4,8H,2-3,5-7,15H2,(H,11,12,14)
InChIKeyAZAQEAKYJPMTOH-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.81
Rot. Bonds2

About 2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one

2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one (PubChem CID 18726933) has the molecular formula C10H16N3OP and a molecular weight of 225.23 g/mol. Its IUPAC name is 2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one
PubChem CID18726933
Molecular FormulaC10H16N3OP
Molecular Weight225.23 g/mol
Exact Mass225.10
IUPAC Name2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(CC2CCN(P)CC2)[nH]1
InChIInChI=1S/C10H16N3OP/c14-10-1-4-11-9(12-10)7-8-2-5-13(15)6-3-8/h1,4,8H,2-3,5-7,15H2,(H,11,12,14)
InChIKeyAZAQEAKYJPMTOH-UHFFFAOYSA-N
XLogP0.81
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Piperidin-4-yl-1H-pyrimidin-6-one;dihydrochloride
CID 137971720
2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 18726934
2-(Piperidin-4-yl)-3,4-dihydropyrimidin-4-one
CID 63362688
ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 91106069
ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 91221143
2-(cyclohexylmethyl)-1H-pyrimidin-6-one
CID 126997626
2-(Pentan-3-yl)-3,4-dihydropyrimidin-4-one
CID 62312550
2-piperidin-3-yl-1H-pyrimidin-6-one
CID 63362649
2-(2-piperidin-3-ylethyl)-1H-pyrimidin-6-one
CID 84035398
5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 84675428
4-amino-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 136077747
4-(dimethylamino)-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 136314513

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one (CID 18726933) is 2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one is O=c1ccnc(CC2CCN(P)CC2)[nH]1.
What is the InChIKey of 2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one?
The InChIKey is AZAQEAKYJPMTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N3OP/c14-10-1-4-11-9(12-10)7-8-2-5-13(15)6-3-8/h1,4,8H,2-3,5-7,15H2,(H,11,12,14).
What are the key properties of 2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one?
2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one has a molecular weight of 225.23 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 18726933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).