1-iodo-2-methylidene-4-propan-2-ylpyrimidine

C8H11IN2 — CID 88994604

IUPAC1-iodo-2-methylidene-4-propan-2-ylpyrimidine
SMILESC=C1N=C(C(C)C)C=CN1I
InChIInChI=1S/C8H11IN2/c1-6(2)8-4-5-11(9)7(3)10-8/h4-6H,3H2,1-2H3
InChIKeyZUFKRTAMFVDYSI-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.73
Rot. Bonds1

About 1-iodo-2-methylidene-4-propan-2-ylpyrimidine

1-iodo-2-methylidene-4-propan-2-ylpyrimidine (PubChem CID 88994604) has the molecular formula C8H11IN2 and a molecular weight of 262.09 g/mol. Its IUPAC name is 1-iodo-2-methylidene-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name1-iodo-2-methylidene-4-propan-2-ylpyrimidine
PubChem CID88994604
Molecular FormulaC8H11IN2
Molecular Weight262.09 g/mol
Exact Mass262.00
IUPAC Name1-iodo-2-methylidene-4-propan-2-ylpyrimidine
SMILESC=C1N=C(C(C)C)C=CN1I
InChIInChI=1S/C8H11IN2/c1-6(2)8-4-5-11(9)7(3)10-8/h4-6H,3H2,1-2H3
InChIKeyZUFKRTAMFVDYSI-UHFFFAOYSA-N
XLogP2.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propane;4-propan-2-yl-2H-pyrimidin-2-ide;vanadium(2+)
CID 58748075
1-Methyl-4-propan-2-ylpyrimidin-2-one
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1-Methyl-2-methylidene-4-propan-2-ylpyrimidine
CID 90906288
4-ethyl-1,2-dimethyl-2H-pyrimidine
CID 91589403
5-Propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene
CID 129103333
5-Propan-2-yl-1,4-diazacyclohepta-2,4,6,7-tetraene
CID 129179125
N'-ethenyl-N-(4-methylpent-1-en-3-ylidene)methanimidamide
CID 135127538
N-ethenyl-4-methylpent-1-en-3-imine
CID 143591102
(Z)-3-ethenylimino-N,N,4-trimethylpent-1-en-1-amine
CID 144046759
4-propan-2-yl-2H-pyrimidin-2-ide;rhenium
CID 146767748
(Z)-3-N,4-dimethyl-1-N-methylidenepent-1-ene-1,3-diimine
CID 147043195
4-butan-2-yl-1-methyl-2H-pyrimidine
CID 155118889

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-methylidene-4-propan-2-ylpyrimidine?
The IUPAC name of 1-iodo-2-methylidene-4-propan-2-ylpyrimidine (CID 88994604) is 1-iodo-2-methylidene-4-propan-2-ylpyrimidine.
What is the SMILES notation for 1-iodo-2-methylidene-4-propan-2-ylpyrimidine?
The canonical SMILES for 1-iodo-2-methylidene-4-propan-2-ylpyrimidine is C=C1N=C(C(C)C)C=CN1I.
What is the InChIKey of 1-iodo-2-methylidene-4-propan-2-ylpyrimidine?
The InChIKey is ZUFKRTAMFVDYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2/c1-6(2)8-4-5-11(9)7(3)10-8/h4-6H,3H2,1-2H3.
What are the key properties of 1-iodo-2-methylidene-4-propan-2-ylpyrimidine?
1-iodo-2-methylidene-4-propan-2-ylpyrimidine has a molecular weight of 262.09 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methylidene-4-propan-2-ylpyrimidine is sourced from PubChem (CID 88994604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).