ethane;4-N-ethenyl-5-ethyl-4-N-phosphanylpyrimidine-2,4-diamine

C12H25N4P — CID 143898517

IUPACethane;4-N-ethenyl-5-ethyl-4-N-phosphanylpyrimidine-2,4-diamine
SMILESC=CN(P)c1nc(N)ncc1CC.CC.CC
InChIInChI=1S/C8H13N4P.2C2H6/c1-3-6-5-10-8(9)11-7(6)12(13)4-2;2*1-2/h4-5H,2-3,13H2,1H3,(H2,9,10,11);2*1-2H3
InChIKeyKLCHJRKIFGHMAN-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.41
Rot. Bonds3

About ethane;4-N-ethenyl-5-ethyl-4-N-phosphanylpyrimidine-2,4-diamine

ethane;4-N-ethenyl-5-ethyl-4-N-phosphanylpyrimidine-2,4-diamine (PubChem CID 143898517) has the molecular formula C12H25N4P and a molecular weight of 256.33 g/mol. Its IUPAC name is ethane;4-N-ethenyl-5-ethyl-4-N-phosphanylpyrimidine-2,4-diamine.

Molecular Properties

Compound Nameethane;4-N-ethenyl-5-ethyl-4-N-phosphanylpyrimidine-2,4-diamine
PubChem CID143898517
Molecular FormulaC12H25N4P
Molecular Weight256.33 g/mol
Exact Mass256.18
IUPAC Nameethane;4-N-ethenyl-5-ethyl-4-N-phosphanylpyrimidine-2,4-diamine
SMILESC=CN(P)c1nc(N)ncc1CC.CC.CC
InChIInChI=1S/C8H13N4P.2C2H6/c1-3-6-5-10-8(9)11-7(6)12(13)4-2;2*1-2/h4-5H,2-3,13H2,1H3,(H2,9,10,11);2*1-2H3
InChIKeyKLCHJRKIFGHMAN-UHFFFAOYSA-N
XLogP3.41
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.41
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 ethane;4-N-ethenyl-5-ethyl-4-N-phosphanylpyrimidine-2,4-diamine?
The IUPAC name of ethane;4-N-ethenyl-5-ethyl-4-N-phosphanylpyrimidine-2,4-diamine (CID 143898517) is ethane;4-N-ethenyl-5-ethyl-4-N-phosphanylpyrimidine-2,4-diamine.
What is the SMILES notation for ethane;4-N-ethenyl-5-ethyl-4-N-phosphanylpyrimidine-2,4-diamine?
The canonical SMILES for ethane;4-N-ethenyl-5-ethyl-4-N-phosphanylpyrimidine-2,4-diamine is C=CN(P)c1nc(N)ncc1CC.CC.CC.
What is the InChIKey of ethane;4-N-ethenyl-5-ethyl-4-N-phosphanylpyrimidine-2,4-diamine?
The InChIKey is KLCHJRKIFGHMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N4P.2C2H6/c1-3-6-5-10-8(9)11-7(6)12(13)4-2;2*1-2/h4-5H,2-3,13H2,1H3,(H2,9,10,11);2*1-2H3.
What are the key properties of ethane;4-N-ethenyl-5-ethyl-4-N-phosphanylpyrimidine-2,4-diamine?
ethane;4-N-ethenyl-5-ethyl-4-N-phosphanylpyrimidine-2,4-diamine has a molecular weight of 256.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-N-ethenyl-5-ethyl-4-N-phosphanylpyrimidine-2,4-diamine is sourced from PubChem (CID 143898517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).