2-[(2S)-2-phenylpent-4-enyl]sulfanylpyrimidine

C15H16N2S — CID 130367476

IUPAC2-[(2S)-2-phenylpent-4-enyl]sulfanylpyrimidine
SMILESC=CC[C@H](CSc1ncccn1)c1ccccc1
InChIInChI=1S/C15H16N2S/c1-2-7-14(13-8-4-3-5-9-13)12-18-15-16-10-6-11-17-15/h2-6,8-11,14H,1,7,12H2/t14-/m1/s1
InChIKeyAUOQXEVKENLNOY-CQSZACIVSA-N
MW256.37 g/mol
LogP3.93
Rot. Bonds6

About 2-[(2S)-2-phenylpent-4-enyl]sulfanylpyrimidine

2-[(2S)-2-phenylpent-4-enyl]sulfanylpyrimidine (PubChem CID 130367476) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[(2S)-2-phenylpent-4-enyl]sulfanylpyrimidine.

Molecular Properties

Compound Name2-[(2S)-2-phenylpent-4-enyl]sulfanylpyrimidine
PubChem CID130367476
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name2-[(2S)-2-phenylpent-4-enyl]sulfanylpyrimidine
SMILESC=CC[C@H](CSc1ncccn1)c1ccccc1
InChIInChI=1S/C15H16N2S/c1-2-7-14(13-8-4-3-5-9-13)12-18-15-16-10-6-11-17-15/h2-6,8-11,14H,1,7,12H2/t14-/m1/s1
InChIKeyAUOQXEVKENLNOY-CQSZACIVSA-N
XLogP3.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-phenylhex-5-enal
CID 11229081
(3R)-3-phenylhex-5-en-1-ol
CID 10419714
oct-1-en-4-ylbenzene
CID 22247233
hepta-1,6-dien-4-ylbenzene;phthalic acid
CID 66933649
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride
CID 3046459
(3S)-1,3-diphenylhex-5-en-1-one
CID 11288162
4-phenyl-1-trimethylsilylhept-6-en-1-one
CID 102315107
1,4-diphenylhept-6-en-1-one
CID 22894004
(1-iodo-2-prop-2-enylpent-4-enyl)benzene
CID 141223385
triethyl(4-phenylhepta-1,6-dien-2-yloxy)silane
CID 86212793
ethyl 3-phenylhex-5-enoate
CID 11481375

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-phenylpent-4-enyl]sulfanylpyrimidine?
The IUPAC name of 2-[(2S)-2-phenylpent-4-enyl]sulfanylpyrimidine (CID 130367476) is 2-[(2S)-2-phenylpent-4-enyl]sulfanylpyrimidine.
What is the SMILES notation for 2-[(2S)-2-phenylpent-4-enyl]sulfanylpyrimidine?
The canonical SMILES for 2-[(2S)-2-phenylpent-4-enyl]sulfanylpyrimidine is C=CC[C@H](CSc1ncccn1)c1ccccc1.
What is the InChIKey of 2-[(2S)-2-phenylpent-4-enyl]sulfanylpyrimidine?
The InChIKey is AUOQXEVKENLNOY-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16N2S/c1-2-7-14(13-8-4-3-5-9-13)12-18-15-16-10-6-11-17-15/h2-6,8-11,14H,1,7,12H2/t14-/m1/s1.
What are the key properties of 2-[(2S)-2-phenylpent-4-enyl]sulfanylpyrimidine?
2-[(2S)-2-phenylpent-4-enyl]sulfanylpyrimidine has a molecular weight of 256.37 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-phenylpent-4-enyl]sulfanylpyrimidine is sourced from PubChem (CID 130367476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).