4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine

C14H10Cl2FIN2 — CID 66293688

IUPAC4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine
SMILESFc1cccc(Cl)c1Cc1nc(Cl)c(I)c(C2CC2)n1
InChIInChI=1S/C14H10Cl2FIN2/c15-9-2-1-3-10(17)8(9)6-11-19-13(7-4-5-7)12(18)14(16)20-11/h1-3,7H,4-6H2
InChIKeyHMYDGDRRTGONRQ-UHFFFAOYSA-N
MW423.06 g/mol
LogP5.00
Rot. Bonds3

About 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine

4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine (PubChem CID 66293688) has the molecular formula C14H10Cl2FIN2 and a molecular weight of 423.06 g/mol. Its IUPAC name is 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine
PubChem CID66293688
Molecular FormulaC14H10Cl2FIN2
Molecular Weight423.06 g/mol
Exact Mass421.92
IUPAC Name4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine
SMILESFc1cccc(Cl)c1Cc1nc(Cl)c(I)c(C2CC2)n1
InChIInChI=1S/C14H10Cl2FIN2/c15-9-2-1-3-10(17)8(9)6-11-19-13(7-4-5-7)12(18)14(16)20-11/h1-3,7H,4-6H2
InChIKeyHMYDGDRRTGONRQ-UHFFFAOYSA-N
XLogP5.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.06
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine
CID 66316635
4-chloro-6-cyclopropyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidine
CID 66292286
2-[(3-bromophenyl)methyl]-4-chloro-6-cyclopropyl-5-iodopyrimidine
CID 66293895
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine
CID 63024195
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 63024377
4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine
CID 66293287
2-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 66305117
[5-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
CID 112593104
2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 63023707
5-bromo-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106480443
2-[(2-chloro-6-fluorophenyl)methyl]-4-(chloromethyl)-6-methylpyrimidine
CID 63024051
2-[(3-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 66302364

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine?
The IUPAC name of 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine (CID 66293688) is 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine.
What is the SMILES notation for 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine?
The canonical SMILES for 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine is Fc1cccc(Cl)c1Cc1nc(Cl)c(I)c(C2CC2)n1.
What is the InChIKey of 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine?
The InChIKey is HMYDGDRRTGONRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FIN2/c15-9-2-1-3-10(17)8(9)6-11-19-13(7-4-5-7)12(18)14(16)20-11/h1-3,7H,4-6H2.
What are the key properties of 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine?
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine has a molecular weight of 423.06 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine is sourced from PubChem (CID 66293688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).