4-chloro-2,6-dimethyl-5-prop-2-enylpyrimidine

C9H11ClN2 — CID 12860322

IUPAC4-chloro-2,6-dimethyl-5-prop-2-enylpyrimidine
SMILESC=CCc1c(C)nc(C)nc1Cl
InChIInChI=1S/C9H11ClN2/c1-4-5-8-6(2)11-7(3)12-9(8)10/h4H,1,5H2,2-3H3
InChIKeyHRICCAXUSJZGKF-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.48
Rot. Bonds2

About 4-chloro-2,6-dimethyl-5-prop-2-enylpyrimidine

4-chloro-2,6-dimethyl-5-prop-2-enylpyrimidine (PubChem CID 12860322) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 4-chloro-2,6-dimethyl-5-prop-2-enylpyrimidine.

Molecular Properties

Compound Name4-chloro-2,6-dimethyl-5-prop-2-enylpyrimidine
PubChem CID12860322
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name4-chloro-2,6-dimethyl-5-prop-2-enylpyrimidine
SMILESC=CCc1c(C)nc(C)nc1Cl
InChIInChI=1S/C9H11ClN2/c1-4-5-8-6(2)11-7(3)12-9(8)10/h4H,1,5H2,2-3H3
InChIKeyHRICCAXUSJZGKF-UHFFFAOYSA-N
XLogP2.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dimethyl-5-prop-2-enylpyrimidine?
The IUPAC name of 4-chloro-2,6-dimethyl-5-prop-2-enylpyrimidine (CID 12860322) is 4-chloro-2,6-dimethyl-5-prop-2-enylpyrimidine.
What is the SMILES notation for 4-chloro-2,6-dimethyl-5-prop-2-enylpyrimidine?
The canonical SMILES for 4-chloro-2,6-dimethyl-5-prop-2-enylpyrimidine is C=CCc1c(C)nc(C)nc1Cl.
What is the InChIKey of 4-chloro-2,6-dimethyl-5-prop-2-enylpyrimidine?
The InChIKey is HRICCAXUSJZGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-4-5-8-6(2)11-7(3)12-9(8)10/h4H,1,5H2,2-3H3.
What are the key properties of 4-chloro-2,6-dimethyl-5-prop-2-enylpyrimidine?
4-chloro-2,6-dimethyl-5-prop-2-enylpyrimidine has a molecular weight of 182.65 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dimethyl-5-prop-2-enylpyrimidine is sourced from PubChem (CID 12860322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).