4-iodo-2,6-dimethoxy-5-prop-2-enylpyrimidine

C9H11IN2O2 — CID 164680509

IUPAC4-iodo-2,6-dimethoxy-5-prop-2-enylpyrimidine
SMILESC=CCc1c(I)nc(OC)nc1OC
InChIInChI=1S/C9H11IN2O2/c1-4-5-6-7(10)11-9(14-3)12-8(6)13-2/h4H,1,5H2,2-3H3
InChIKeyPUAXDIHSCWXGKK-UHFFFAOYSA-N
MW306.10 g/mol
LogP1.83
Rot. Bonds4

About 4-iodo-2,6-dimethoxy-5-prop-2-enylpyrimidine

4-iodo-2,6-dimethoxy-5-prop-2-enylpyrimidine (PubChem CID 164680509) has the molecular formula C9H11IN2O2 and a molecular weight of 306.10 g/mol. Its IUPAC name is 4-iodo-2,6-dimethoxy-5-prop-2-enylpyrimidine.

Molecular Properties

Compound Name4-iodo-2,6-dimethoxy-5-prop-2-enylpyrimidine
PubChem CID164680509
Molecular FormulaC9H11IN2O2
Molecular Weight306.10 g/mol
Exact Mass305.99
IUPAC Name4-iodo-2,6-dimethoxy-5-prop-2-enylpyrimidine
SMILESC=CCc1c(I)nc(OC)nc1OC
InChIInChI=1S/C9H11IN2O2/c1-4-5-6-7(10)11-9(14-3)12-8(6)13-2/h4H,1,5H2,2-3H3
InChIKeyPUAXDIHSCWXGKK-UHFFFAOYSA-N
XLogP1.83
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2,6-dimethoxy-5-prop-2-enylpyrimidine?
The IUPAC name of 4-iodo-2,6-dimethoxy-5-prop-2-enylpyrimidine (CID 164680509) is 4-iodo-2,6-dimethoxy-5-prop-2-enylpyrimidine.
What is the SMILES notation for 4-iodo-2,6-dimethoxy-5-prop-2-enylpyrimidine?
The canonical SMILES for 4-iodo-2,6-dimethoxy-5-prop-2-enylpyrimidine is C=CCc1c(I)nc(OC)nc1OC.
What is the InChIKey of 4-iodo-2,6-dimethoxy-5-prop-2-enylpyrimidine?
The InChIKey is PUAXDIHSCWXGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O2/c1-4-5-6-7(10)11-9(14-3)12-8(6)13-2/h4H,1,5H2,2-3H3.
What are the key properties of 4-iodo-2,6-dimethoxy-5-prop-2-enylpyrimidine?
4-iodo-2,6-dimethoxy-5-prop-2-enylpyrimidine has a molecular weight of 306.10 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2,6-dimethoxy-5-prop-2-enylpyrimidine is sourced from PubChem (CID 164680509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).