2-chloro-4-[(E)-3-methoxyprop-1-enyl]pyrimidine

C8H9ClN2O — CID 58456371

IUPAC2-chloro-4-[(E)-3-methoxyprop-1-enyl]pyrimidine
SMILESCOC/C=C/c1ccnc(Cl)n1
InChIInChI=1S/C8H9ClN2O/c1-12-6-2-3-7-4-5-10-8(9)11-7/h2-5H,6H2,1H3/b3-2+
InChIKeyFPGXSPOWHQLTOF-NSCUHMNNSA-N
MW184.63 g/mol
LogP1.79
Rot. Bonds3

About 2-chloro-4-[(E)-3-methoxyprop-1-enyl]pyrimidine

2-chloro-4-[(E)-3-methoxyprop-1-enyl]pyrimidine (PubChem CID 58456371) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-chloro-4-[(E)-3-methoxyprop-1-enyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(E)-3-methoxyprop-1-enyl]pyrimidine
PubChem CID58456371
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name2-chloro-4-[(E)-3-methoxyprop-1-enyl]pyrimidine
SMILESCOC/C=C/c1ccnc(Cl)n1
InChIInChI=1S/C8H9ClN2O/c1-12-6-2-3-7-4-5-10-8(9)11-7/h2-5H,6H2,1H3/b3-2+
InChIKeyFPGXSPOWHQLTOF-NSCUHMNNSA-N
XLogP1.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(E)-3-methoxyprop-1-enyl]pyrimidine?
The IUPAC name of 2-chloro-4-[(E)-3-methoxyprop-1-enyl]pyrimidine (CID 58456371) is 2-chloro-4-[(E)-3-methoxyprop-1-enyl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[(E)-3-methoxyprop-1-enyl]pyrimidine?
The canonical SMILES for 2-chloro-4-[(E)-3-methoxyprop-1-enyl]pyrimidine is COC/C=C/c1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-[(E)-3-methoxyprop-1-enyl]pyrimidine?
The InChIKey is FPGXSPOWHQLTOF-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-12-6-2-3-7-4-5-10-8(9)11-7/h2-5H,6H2,1H3/b3-2+.
What are the key properties of 2-chloro-4-[(E)-3-methoxyprop-1-enyl]pyrimidine?
2-chloro-4-[(E)-3-methoxyprop-1-enyl]pyrimidine has a molecular weight of 184.63 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(E)-3-methoxyprop-1-enyl]pyrimidine is sourced from PubChem (CID 58456371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).