[4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)phenyl]methylphosphane

C12H17N2P — CID 58717196

IUPAC[4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)phenyl]methylphosphane
SMILESCC1=NCCCN1c1ccc(CP)cc1
InChIInChI=1S/C12H17N2P/c1-10-13-7-2-8-14(10)12-5-3-11(9-15)4-6-12/h3-6H,2,7-9,15H2,1H3
InChIKeyUDGNCSGDDHPCFV-UHFFFAOYSA-N
MW220.26 g/mol
LogP2.69
Rot. Bonds2

About [4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)phenyl]methylphosphane

[4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)phenyl]methylphosphane (PubChem CID 58717196) has the molecular formula C12H17N2P and a molecular weight of 220.26 g/mol. Its IUPAC name is [4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)phenyl]methylphosphane.

Molecular Properties

Compound Name[4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)phenyl]methylphosphane
PubChem CID58717196
Molecular FormulaC12H17N2P
Molecular Weight220.26 g/mol
Exact Mass220.11
IUPAC Name[4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)phenyl]methylphosphane
SMILESCC1=NCCCN1c1ccc(CP)cc1
InChIInChI=1S/C12H17N2P/c1-10-13-7-2-8-14(10)12-5-3-11(9-15)4-6-12/h3-6H,2,7-9,15H2,1H3
InChIKeyUDGNCSGDDHPCFV-UHFFFAOYSA-N
XLogP2.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)phenyl]methylphosphane?
The IUPAC name of [4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)phenyl]methylphosphane (CID 58717196) is [4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)phenyl]methylphosphane.
What is the SMILES notation for [4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)phenyl]methylphosphane?
The canonical SMILES for [4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)phenyl]methylphosphane is CC1=NCCCN1c1ccc(CP)cc1.
What is the InChIKey of [4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)phenyl]methylphosphane?
The InChIKey is UDGNCSGDDHPCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N2P/c1-10-13-7-2-8-14(10)12-5-3-11(9-15)4-6-12/h3-6H,2,7-9,15H2,1H3.
What are the key properties of [4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)phenyl]methylphosphane?
[4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)phenyl]methylphosphane has a molecular weight of 220.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)phenyl]methylphosphane is sourced from PubChem (CID 58717196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).