2-chloro-4-ethyl-6-phenyl-5-[(Z)-prop-1-enyl]pyrimidine

C15H15ClN2 — CID 142570406

IUPAC2-chloro-4-ethyl-6-phenyl-5-[(Z)-prop-1-enyl]pyrimidine
SMILESC/C=C\c1c(CC)nc(Cl)nc1-c1ccccc1
InChIInChI=1S/C15H15ClN2/c1-3-8-12-13(4-2)17-15(16)18-14(12)11-9-6-5-7-10-11/h3,5-10H,4H2,1-2H3/b8-3-
InChIKeyXEMISVNKBFYFGH-BAQGIRSFSA-N
MW258.75 g/mol
LogP4.39
Rot. Bonds3

About 2-chloro-4-ethyl-6-phenyl-5-[(Z)-prop-1-enyl]pyrimidine

2-chloro-4-ethyl-6-phenyl-5-[(Z)-prop-1-enyl]pyrimidine (PubChem CID 142570406) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-chloro-4-ethyl-6-phenyl-5-[(Z)-prop-1-enyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-ethyl-6-phenyl-5-[(Z)-prop-1-enyl]pyrimidine
PubChem CID142570406
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name2-chloro-4-ethyl-6-phenyl-5-[(Z)-prop-1-enyl]pyrimidine
SMILESC/C=C\c1c(CC)nc(Cl)nc1-c1ccccc1
InChIInChI=1S/C15H15ClN2/c1-3-8-12-13(4-2)17-15(16)18-14(12)11-9-6-5-7-10-11/h3,5-10H,4H2,1-2H3/b8-3-
InChIKeyXEMISVNKBFYFGH-BAQGIRSFSA-N
XLogP4.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethyl-4-methyl-2-phenyl-3,8-bis[(Z)-prop-1-enyl]quinoline
CID 166885144
4-ethyl-1-methyl-2-phenyl-5-[(Z)-prop-1-enyl]imidazole
CID 146359463
2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine
CID 88869157
2-chloro-4-ethyl-6-[(E)-2-phenylethenyl]pyrimidin-5-ol
CID 130241555
2-chloro-6-methyl-3-phenyl-5-[(Z)-prop-1-enyl]pyrazine;ethane
CID 145442397
4-ethyl-5-phenyl-2H-triazole
CID 15501643
2-chloro-5-fluoro-6-phenylpyrimidin-4-amine
CID 129216031
2-chloro-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 170204813
2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine
CID 142384780
2-chloro-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-4-yl]-6-phenyl-1,3,5-triazine
CID 170379319
2-chloro-5-phenoxy-4,6-diphenylpyrimidine
CID 13327262
6-ethyl-5-phenyl-2H-1,2,4-triazine-3-thione
CID 24847137

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-6-phenyl-5-[(Z)-prop-1-enyl]pyrimidine?
The IUPAC name of 2-chloro-4-ethyl-6-phenyl-5-[(Z)-prop-1-enyl]pyrimidine (CID 142570406) is 2-chloro-4-ethyl-6-phenyl-5-[(Z)-prop-1-enyl]pyrimidine.
What is the SMILES notation for 2-chloro-4-ethyl-6-phenyl-5-[(Z)-prop-1-enyl]pyrimidine?
The canonical SMILES for 2-chloro-4-ethyl-6-phenyl-5-[(Z)-prop-1-enyl]pyrimidine is C/C=C\c1c(CC)nc(Cl)nc1-c1ccccc1.
What is the InChIKey of 2-chloro-4-ethyl-6-phenyl-5-[(Z)-prop-1-enyl]pyrimidine?
The InChIKey is XEMISVNKBFYFGH-BAQGIRSFSA-N. The full InChI is InChI=1S/C15H15ClN2/c1-3-8-12-13(4-2)17-15(16)18-14(12)11-9-6-5-7-10-11/h3,5-10H,4H2,1-2H3/b8-3-.
What are the key properties of 2-chloro-4-ethyl-6-phenyl-5-[(Z)-prop-1-enyl]pyrimidine?
2-chloro-4-ethyl-6-phenyl-5-[(Z)-prop-1-enyl]pyrimidine has a molecular weight of 258.75 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-6-phenyl-5-[(Z)-prop-1-enyl]pyrimidine is sourced from PubChem (CID 142570406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).