1-[6-cyclopropyl-2-methyl-5-[(E)-prop-1-enyl]pyrimidin-4-yl]hexa-1,2,3,4,5-pentaenyl-fluorophosphane

C17H16FN2P — CID 21138108

IUPAC1-[6-cyclopropyl-2-methyl-5-[(E)-prop-1-enyl]pyrimidin-4-yl]hexa-1,2,3,4,5-pentaenyl-fluorophosphane
SMILESC=C=C=C=C=C(PF)c1nc(C)nc(C2CC2)c1/C=C/C
InChIInChI=1S/C17H16FN2P/c1-4-6-7-9-15(21-18)17-14(8-5-2)16(13-10-11-13)19-12(3)20-17/h5,8,13,21H,1,10-11H2,2-3H3/b8-5+
InChIKeyRINGCQCGQPRWCJ-VMPITWQZSA-N
MW298.30 g/mol
LogP4.85
Rot. Bonds4

About 1-[6-cyclopropyl-2-methyl-5-[(E)-prop-1-enyl]pyrimidin-4-yl]hexa-1,2,3,4,5-pentaenyl-fluorophosphane

1-[6-cyclopropyl-2-methyl-5-[(E)-prop-1-enyl]pyrimidin-4-yl]hexa-1,2,3,4,5-pentaenyl-fluorophosphane (PubChem CID 21138108) has the molecular formula C17H16FN2P and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-[6-cyclopropyl-2-methyl-5-[(E)-prop-1-enyl]pyrimidin-4-yl]hexa-1,2,3,4,5-pentaenyl-fluorophosphane.

Molecular Properties

Compound Name1-[6-cyclopropyl-2-methyl-5-[(E)-prop-1-enyl]pyrimidin-4-yl]hexa-1,2,3,4,5-pentaenyl-fluorophosphane
PubChem CID21138108
Molecular FormulaC17H16FN2P
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name1-[6-cyclopropyl-2-methyl-5-[(E)-prop-1-enyl]pyrimidin-4-yl]hexa-1,2,3,4,5-pentaenyl-fluorophosphane
SMILESC=C=C=C=C=C(PF)c1nc(C)nc(C2CC2)c1/C=C/C
InChIInChI=1S/C17H16FN2P/c1-4-6-7-9-15(21-18)17-14(8-5-2)16(13-10-11-13)19-12(3)20-17/h5,8,13,21H,1,10-11H2,2-3H3/b8-5+
InChIKeyRINGCQCGQPRWCJ-VMPITWQZSA-N
XLogP4.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 54.85
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

4-Ethyl-5,6-dimethyl-2-phenylpyrimidine
CID 5338322
4,5-Dimethyl-2-(trifluoromethyl)-7,8-dihydroquinazoline
CID 71220356
4-Cyclopropyl-2-ethenyl-5-fluoro-6-methylpyrimidine
CID 90464587
2-(2,3-Dimethylbutyl)-5-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine
CID 123597725
(E)-5-Iodo-2-isopropyl-4-methyl-6-styrylpyrimidine
CID 12489246
2,4-Bis(ethenyl)-5,6-diethylpyrimidine
CID 132597725
4-Cyclopropyl-2,6-diphenyl-5-propylpyrimidine
CID 168334346
2-Cyclopropyl-4-ethyl-5-propyl-6-(trifluoromethyl)pyrimidine
CID 143705936
2-(1-Cyclohexa-1,5-dien-1-ylethyl)-4-fluoro-5,6-dipropylpyrimidine
CID 145481616
(E)-N,N-diethyl-2-(2,5,6-triethylpyrimidin-4-yl)ethenamine
CID 10682857
4,6-Dimethyl-2-phenyl-5-propan-2-ylpyrimidine
CID 21336338
4-Ethyl-2-methanidylcyclopenta[d]pyrimidine;yttrium
CID 57899343

Frequently Asked Questions

What is the IUPAC name of 1-[6-cyclopropyl-2-methyl-5-[(E)-prop-1-enyl]pyrimidin-4-yl]hexa-1,2,3,4,5-pentaenyl-fluorophosphane?
The IUPAC name of 1-[6-cyclopropyl-2-methyl-5-[(E)-prop-1-enyl]pyrimidin-4-yl]hexa-1,2,3,4,5-pentaenyl-fluorophosphane (CID 21138108) is 1-[6-cyclopropyl-2-methyl-5-[(E)-prop-1-enyl]pyrimidin-4-yl]hexa-1,2,3,4,5-pentaenyl-fluorophosphane.
What is the SMILES notation for 1-[6-cyclopropyl-2-methyl-5-[(E)-prop-1-enyl]pyrimidin-4-yl]hexa-1,2,3,4,5-pentaenyl-fluorophosphane?
The canonical SMILES for 1-[6-cyclopropyl-2-methyl-5-[(E)-prop-1-enyl]pyrimidin-4-yl]hexa-1,2,3,4,5-pentaenyl-fluorophosphane is C=C=C=C=C=C(PF)c1nc(C)nc(C2CC2)c1/C=C/C.
What is the InChIKey of 1-[6-cyclopropyl-2-methyl-5-[(E)-prop-1-enyl]pyrimidin-4-yl]hexa-1,2,3,4,5-pentaenyl-fluorophosphane?
The InChIKey is RINGCQCGQPRWCJ-VMPITWQZSA-N. The full InChI is InChI=1S/C17H16FN2P/c1-4-6-7-9-15(21-18)17-14(8-5-2)16(13-10-11-13)19-12(3)20-17/h5,8,13,21H,1,10-11H2,2-3H3/b8-5+.
What are the key properties of 1-[6-cyclopropyl-2-methyl-5-[(E)-prop-1-enyl]pyrimidin-4-yl]hexa-1,2,3,4,5-pentaenyl-fluorophosphane?
1-[6-cyclopropyl-2-methyl-5-[(E)-prop-1-enyl]pyrimidin-4-yl]hexa-1,2,3,4,5-pentaenyl-fluorophosphane has a molecular weight of 298.30 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-cyclopropyl-2-methyl-5-[(E)-prop-1-enyl]pyrimidin-4-yl]hexa-1,2,3,4,5-pentaenyl-fluorophosphane is sourced from PubChem (CID 21138108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).