dimethyl(pyrimidin-4-yl)phosphane

C6H9N2P — CID 137352498

IUPACdimethyl(pyrimidin-4-yl)phosphane
SMILESCP(C)c1ccncn1
InChIInChI=1S/C6H9N2P/c1-9(2)6-3-4-7-5-8-6/h3-5H,1-2H3
InChIKeyYLSONDSWVUNDKN-UHFFFAOYSA-N
MW140.13 g/mol
LogP0.84
Rot. Bonds1

About dimethyl(pyrimidin-4-yl)phosphane

dimethyl(pyrimidin-4-yl)phosphane (PubChem CID 137352498) has the molecular formula C6H9N2P and a molecular weight of 140.13 g/mol. Its IUPAC name is dimethyl(pyrimidin-4-yl)phosphane.

Molecular Properties

Compound Namedimethyl(pyrimidin-4-yl)phosphane
PubChem CID137352498
Molecular FormulaC6H9N2P
Molecular Weight140.13 g/mol
Exact Mass140.05
IUPAC Namedimethyl(pyrimidin-4-yl)phosphane
SMILESCP(C)c1ccncn1
InChIInChI=1S/C6H9N2P/c1-9(2)6-3-4-7-5-8-6/h3-5H,1-2H3
InChIKeyYLSONDSWVUNDKN-UHFFFAOYSA-N
XLogP0.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydron;4-methylpyrimidine
CID 174915530
di(pyrimidin-4-yl)methanethione
CID 174450252
pyrrolo[3,2-d][1,3]diazepine
CID 70359339
ethane;pyrimidin-4-ylmethanamine
CID 90939628
ethane;molecular hydrogen;pyrimidin-4-amine
CID 143846150
4-propylpyrimidine
CID 18996562
4-methylpyrimidine;1,1,1-trifluoroethane
CID 143795671
4-prop-1-en-2-ylpyrimidine
CID 58549974
ethane;bis(4-methylpyridine);4-methylpyrimidine
CID 143707387
CID 174458213
CID 174458213
methylphosphane;4-(trifluoromethyl)pyrimidine
CID 143699772
4-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]pyrimidine
CID 57409110

Frequently Asked Questions

What is the IUPAC name of dimethyl(pyrimidin-4-yl)phosphane?
The IUPAC name of dimethyl(pyrimidin-4-yl)phosphane (CID 137352498) is dimethyl(pyrimidin-4-yl)phosphane.
What is the SMILES notation for dimethyl(pyrimidin-4-yl)phosphane?
The canonical SMILES for dimethyl(pyrimidin-4-yl)phosphane is CP(C)c1ccncn1.
What is the InChIKey of dimethyl(pyrimidin-4-yl)phosphane?
The InChIKey is YLSONDSWVUNDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2P/c1-9(2)6-3-4-7-5-8-6/h3-5H,1-2H3.
What are the key properties of dimethyl(pyrimidin-4-yl)phosphane?
dimethyl(pyrimidin-4-yl)phosphane has a molecular weight of 140.13 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(pyrimidin-4-yl)phosphane is sourced from PubChem (CID 137352498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).