5-[(Z)-but-1-enyl]-2,4-dichloro-6-ethylpyrimidine

C10H12Cl2N2 — CID 155058641

IUPAC5-[(Z)-but-1-enyl]-2,4-dichloro-6-ethylpyrimidine
SMILESCC/C=C\c1c(Cl)nc(Cl)nc1CC
InChIInChI=1S/C10H12Cl2N2/c1-3-5-6-7-8(4-2)13-10(12)14-9(7)11/h5-6H,3-4H2,1-2H3/b6-5-
InChIKeyRYHOVAPXRWKPHP-WAYWQWQTSA-N
MW231.13 g/mol
LogP3.77
Rot. Bonds3

About 5-[(Z)-but-1-enyl]-2,4-dichloro-6-ethylpyrimidine

5-[(Z)-but-1-enyl]-2,4-dichloro-6-ethylpyrimidine (PubChem CID 155058641) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-2,4-dichloro-6-ethylpyrimidine.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-2,4-dichloro-6-ethylpyrimidine
PubChem CID155058641
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name5-[(Z)-but-1-enyl]-2,4-dichloro-6-ethylpyrimidine
SMILESCC/C=C\c1c(Cl)nc(Cl)nc1CC
InChIInChI=1S/C10H12Cl2N2/c1-3-5-6-7-8(4-2)13-10(12)14-9(7)11/h5-6H,3-4H2,1-2H3/b6-5-
InChIKeyRYHOVAPXRWKPHP-WAYWQWQTSA-N
XLogP3.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enyl]-2,4-dichloro-6-ethylpyrimidine?
The IUPAC name of 5-[(Z)-but-1-enyl]-2,4-dichloro-6-ethylpyrimidine (CID 155058641) is 5-[(Z)-but-1-enyl]-2,4-dichloro-6-ethylpyrimidine.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-2,4-dichloro-6-ethylpyrimidine?
The canonical SMILES for 5-[(Z)-but-1-enyl]-2,4-dichloro-6-ethylpyrimidine is CC/C=C\c1c(Cl)nc(Cl)nc1CC.
What is the InChIKey of 5-[(Z)-but-1-enyl]-2,4-dichloro-6-ethylpyrimidine?
The InChIKey is RYHOVAPXRWKPHP-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c1-3-5-6-7-8(4-2)13-10(12)14-9(7)11/h5-6H,3-4H2,1-2H3/b6-5-.
What are the key properties of 5-[(Z)-but-1-enyl]-2,4-dichloro-6-ethylpyrimidine?
5-[(Z)-but-1-enyl]-2,4-dichloro-6-ethylpyrimidine has a molecular weight of 231.13 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enyl]-2,4-dichloro-6-ethylpyrimidine is sourced from PubChem (CID 155058641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).