methyl-(4-morpholin-4-ylpyrimidin-2-yl)phosphane

C9H14N3OP — CID 134255137

IUPACmethyl-(4-morpholin-4-ylpyrimidin-2-yl)phosphane
SMILESCPc1nccc(N2CCOCC2)n1
InChIInChI=1S/C9H14N3OP/c1-14-9-10-3-2-8(11-9)12-4-6-13-7-5-12/h2-3,14H,4-7H2,1H3
InChIKeyWWZHGVUATIGIOV-UHFFFAOYSA-N
MW211.20 g/mol
LogP0.25
Rot. Bonds2

About methyl-(4-morpholin-4-ylpyrimidin-2-yl)phosphane

methyl-(4-morpholin-4-ylpyrimidin-2-yl)phosphane (PubChem CID 134255137) has the molecular formula C9H14N3OP and a molecular weight of 211.20 g/mol. Its IUPAC name is methyl-(4-morpholin-4-ylpyrimidin-2-yl)phosphane.

Molecular Properties

Compound Namemethyl-(4-morpholin-4-ylpyrimidin-2-yl)phosphane
PubChem CID134255137
Molecular FormulaC9H14N3OP
Molecular Weight211.20 g/mol
Exact Mass211.09
IUPAC Namemethyl-(4-morpholin-4-ylpyrimidin-2-yl)phosphane
SMILESCPc1nccc(N2CCOCC2)n1
InChIInChI=1S/C9H14N3OP/c1-14-9-10-3-2-8(11-9)12-4-6-13-7-5-12/h2-3,14H,4-7H2,1H3
InChIKeyWWZHGVUATIGIOV-UHFFFAOYSA-N
XLogP0.25
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 50.25
H-Bond Donors ≤ 50
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 methyl-(4-morpholin-4-ylpyrimidin-2-yl)phosphane?
The IUPAC name of methyl-(4-morpholin-4-ylpyrimidin-2-yl)phosphane (CID 134255137) is methyl-(4-morpholin-4-ylpyrimidin-2-yl)phosphane.
What is the SMILES notation for methyl-(4-morpholin-4-ylpyrimidin-2-yl)phosphane?
The canonical SMILES for methyl-(4-morpholin-4-ylpyrimidin-2-yl)phosphane is CPc1nccc(N2CCOCC2)n1.
What is the InChIKey of methyl-(4-morpholin-4-ylpyrimidin-2-yl)phosphane?
The InChIKey is WWZHGVUATIGIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N3OP/c1-14-9-10-3-2-8(11-9)12-4-6-13-7-5-12/h2-3,14H,4-7H2,1H3.
What are the key properties of methyl-(4-morpholin-4-ylpyrimidin-2-yl)phosphane?
methyl-(4-morpholin-4-ylpyrimidin-2-yl)phosphane has a molecular weight of 211.20 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-morpholin-4-ylpyrimidin-2-yl)phosphane is sourced from PubChem (CID 134255137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).