2-(1-cyclohexa-1,5-dien-1-ylethyl)-4-fluoro-5,6-dipropylpyrimidine

C18H25FN2 — CID 145481616

IUPAC2-(1-cyclohexa-1,5-dien-1-ylethyl)-4-fluoro-5,6-dipropylpyrimidine
SMILESCCCc1nc(C(C)C2=CCCC=C2)nc(F)c1CCC
InChIInChI=1S/C18H25FN2/c1-4-9-15-16(10-5-2)20-18(21-17(15)19)13(3)14-11-7-6-8-12-14/h7,11-13H,4-6,8-10H2,1-3H3
InChIKeyKKRZOSIFMOLCCO-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.90
Rot. Bonds6

About 2-(1-cyclohexa-1,5-dien-1-ylethyl)-4-fluoro-5,6-dipropylpyrimidine

2-(1-cyclohexa-1,5-dien-1-ylethyl)-4-fluoro-5,6-dipropylpyrimidine (PubChem CID 145481616) has the molecular formula C18H25FN2 and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-(1-cyclohexa-1,5-dien-1-ylethyl)-4-fluoro-5,6-dipropylpyrimidine.

Molecular Properties

Compound Name2-(1-cyclohexa-1,5-dien-1-ylethyl)-4-fluoro-5,6-dipropylpyrimidine
PubChem CID145481616
Molecular FormulaC18H25FN2
Molecular Weight288.41 g/mol
Exact Mass288.20
IUPAC Name2-(1-cyclohexa-1,5-dien-1-ylethyl)-4-fluoro-5,6-dipropylpyrimidine
SMILESCCCc1nc(C(C)C2=CCCC=C2)nc(F)c1CCC
InChIInChI=1S/C18H25FN2/c1-4-9-15-16(10-5-2)20-18(21-17(15)19)13(3)14-11-7-6-8-12-14/h7,11-13H,4-6,8-10H2,1-3H3
InChIKeyKKRZOSIFMOLCCO-UHFFFAOYSA-N
XLogP4.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Cyclohexyl-6-propylpyrimidine-2-carbonitrile
CID 11622731
4-Ethyl-2,5,6-trimethylpyrimidine
CID 14199147
4-Butyl-2-ethenyl-6-(4-fluorophenyl)pyrimidine
CID 71620014
4-Fluoro-2-methyl-6-phenylpyrimidine
CID 102234699
4-Pyrimidinamine, 5-ethyl-2,6-dipropyl-
CID 12285747
2,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 15122254
4-Cyclohexyl-2,6-dimethylpyrimidine
CID 102162386
2-Cyano-4-methyl-5-(2,4,6-trifluorophenyl)-6-(2-methylbutyl)pyrimidine
CID 11623880
4-(4-Fluorophenyl)-5-methyl-2-phenyl-6-propan-2-ylpyrimidine
CID 20679570
1-[6-cyclopropyl-2-methyl-5-[(E)-prop-1-enyl]pyrimidin-4-yl]hexa-1,2,3,4,5-pentaenyl-fluorophosphane
CID 21138108
4-(4-Fluorophenyl)-2-methyl-6-pent-4-enylpyrimidine
CID 21256777
5-Ethenyl-4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidine
CID 21612768

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexa-1,5-dien-1-ylethyl)-4-fluoro-5,6-dipropylpyrimidine?
The IUPAC name of 2-(1-cyclohexa-1,5-dien-1-ylethyl)-4-fluoro-5,6-dipropylpyrimidine (CID 145481616) is 2-(1-cyclohexa-1,5-dien-1-ylethyl)-4-fluoro-5,6-dipropylpyrimidine.
What is the SMILES notation for 2-(1-cyclohexa-1,5-dien-1-ylethyl)-4-fluoro-5,6-dipropylpyrimidine?
The canonical SMILES for 2-(1-cyclohexa-1,5-dien-1-ylethyl)-4-fluoro-5,6-dipropylpyrimidine is CCCc1nc(C(C)C2=CCCC=C2)nc(F)c1CCC.
What is the InChIKey of 2-(1-cyclohexa-1,5-dien-1-ylethyl)-4-fluoro-5,6-dipropylpyrimidine?
The InChIKey is KKRZOSIFMOLCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2/c1-4-9-15-16(10-5-2)20-18(21-17(15)19)13(3)14-11-7-6-8-12-14/h7,11-13H,4-6,8-10H2,1-3H3.
What are the key properties of 2-(1-cyclohexa-1,5-dien-1-ylethyl)-4-fluoro-5,6-dipropylpyrimidine?
2-(1-cyclohexa-1,5-dien-1-ylethyl)-4-fluoro-5,6-dipropylpyrimidine has a molecular weight of 288.41 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexa-1,5-dien-1-ylethyl)-4-fluoro-5,6-dipropylpyrimidine is sourced from PubChem (CID 145481616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).