2-(4-fluorophenyl)-5-hex-1-ynylpyrimidine

C16H15FN2 — CID 19386416

IUPAC2-(4-fluorophenyl)-5-hex-1-ynylpyrimidine
SMILESCCCCC#Cc1cnc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C16H15FN2/c1-2-3-4-5-6-13-11-18-16(19-12-13)14-7-9-15(17)10-8-14/h7-12H,2-4H2,1H3
InChIKeyGMQOVZZCMIOMIT-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.82
Rot. Bonds3

About 2-(4-fluorophenyl)-5-hex-1-ynylpyrimidine

2-(4-fluorophenyl)-5-hex-1-ynylpyrimidine (PubChem CID 19386416) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-hex-1-ynylpyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-hex-1-ynylpyrimidine
PubChem CID19386416
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name2-(4-fluorophenyl)-5-hex-1-ynylpyrimidine
SMILESCCCCC#Cc1cnc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C16H15FN2/c1-2-3-4-5-6-13-11-18-16(19-12-13)14-7-9-15(17)10-8-14/h7-12H,2-4H2,1H3
InChIKeyGMQOVZZCMIOMIT-UHFFFAOYSA-N
XLogP3.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-5-hex-1-ynylpyrimidine
CID 19386326
1-fluoro-4-(4-hex-1-ynylphenyl)benzene
CID 19386407
2-(3,4-difluorophenyl)-5-pent-1-ynylpyrimidine
CID 23297042
2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine
CID 22089512
5-(6-fluorohept-1-ynyl)-2-(4-prop-2-enylphenyl)pyrimidine
CID 70128636
5-hex-1-ynyl-2-[4-(trifluoromethoxy)phenyl]pyridine
CID 19386237
N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide
CID 74227684
2-(4-fluorophenyl)pyrimidin-5-ol
CID 15095345
2-(4-octylphenyl)pyrimidine-5-carbonitrile
CID 21388861
4-hex-1-ynylaniline
CID 11845914
1-ethynyl-4-hex-1-ynylbenzene
CID 19050497
5-ethyl-2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]pyrimidine
CID 139858298

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-hex-1-ynylpyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-5-hex-1-ynylpyrimidine (CID 19386416) is 2-(4-fluorophenyl)-5-hex-1-ynylpyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-hex-1-ynylpyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-5-hex-1-ynylpyrimidine is CCCCC#Cc1cnc(-c2ccc(F)cc2)nc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-hex-1-ynylpyrimidine?
The InChIKey is GMQOVZZCMIOMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-2-3-4-5-6-13-11-18-16(19-12-13)14-7-9-15(17)10-8-14/h7-12H,2-4H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-hex-1-ynylpyrimidine?
2-(4-fluorophenyl)-5-hex-1-ynylpyrimidine has a molecular weight of 254.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-hex-1-ynylpyrimidine is sourced from PubChem (CID 19386416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).