[(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane

C14H19N2P — CID 143343608

IUPAC[(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane
SMILES[H]/P=C/C1=N/C(=C/C(=C)C)N(C)C(C(=C)CC)=C1
InChIInChI=1S/C14H19N2P/c1-6-11(4)13-8-12(9-17)15-14(16(13)5)7-10(2)3/h7-9,17H,2,4,6H2,1,3,5H3/b14-7-
InChIKeyRRQCPODASQKKGX-AUWJEWJLSA-N
MW246.29 g/mol
LogP3.59
Rot. Bonds4

About [(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane

[(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane (PubChem CID 143343608) has the molecular formula C14H19N2P and a molecular weight of 246.29 g/mol. Its IUPAC name is [(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane.

Molecular Properties

Compound Name[(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane
PubChem CID143343608
Molecular FormulaC14H19N2P
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name[(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane
SMILES[H]/P=C/C1=N/C(=C/C(=C)C)N(C)C(C(=C)CC)=C1
InChIInChI=1S/C14H19N2P/c1-6-11(4)13-8-12(9-17)15-14(16(13)5)7-10(2)3/h7-9,17H,2,4,6H2,1,3,5H3/b14-7-
InChIKeyRRQCPODASQKKGX-AUWJEWJLSA-N
XLogP3.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane 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

(2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine;methanamine
CID 143343106
Acetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane
CID 143345365
2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile
CID 143346692
(2E)-4-ethenyl-2-ethylidene-1-methyl-6-prop-1-en-2-ylpyrimidine
CID 143342976
(2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine
CID 143343107
6-But-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine
CID 143345366
(2E)-1-methyl-4,6-bis(prop-1-en-2-yl)-2-prop-2-enylidenepyrimidine
CID 143347291

Frequently Asked Questions

What is the IUPAC name of [(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane?
The IUPAC name of [(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane (CID 143343608) is [(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane.
What is the SMILES notation for [(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane?
The canonical SMILES for [(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane is [H]/P=C/C1=N/C(=C/C(=C)C)N(C)C(C(=C)CC)=C1.
What is the InChIKey of [(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane?
The InChIKey is RRQCPODASQKKGX-AUWJEWJLSA-N. The full InChI is InChI=1S/C14H19N2P/c1-6-11(4)13-8-12(9-17)15-14(16(13)5)7-10(2)3/h7-9,17H,2,4,6H2,1,3,5H3/b14-7-.
What are the key properties of [(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane?
[(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane has a molecular weight of 246.29 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane is sourced from PubChem (CID 143343608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).