4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine

C14H14ClIN2O — CID 66313598

IUPAC4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine
SMILESCc1nc(-c2cccc(OC(C)C)c2)nc(Cl)c1I
InChIInChI=1S/C14H14ClIN2O/c1-8(2)19-11-6-4-5-10(7-11)14-17-9(3)12(16)13(15)18-14/h4-8H,1-3H3
InChIKeyDNFUBZSOFZHHEE-UHFFFAOYSA-N
MW388.64 g/mol
LogP4.50
Rot. Bonds3

About 4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine

4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine (PubChem CID 66313598) has the molecular formula C14H14ClIN2O and a molecular weight of 388.64 g/mol. Its IUPAC name is 4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine
PubChem CID66313598
Molecular FormulaC14H14ClIN2O
Molecular Weight388.64 g/mol
Exact Mass387.98
IUPAC Name4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine
SMILESCc1nc(-c2cccc(OC(C)C)c2)nc(Cl)c1I
InChIInChI=1S/C14H14ClIN2O/c1-8(2)19-11-6-4-5-10(7-11)14-17-9(3)12(16)13(15)18-14/h4-8H,1-3H3
InChIKeyDNFUBZSOFZHHEE-UHFFFAOYSA-N
XLogP4.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.64
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine?
The IUPAC name of 4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine (CID 66313598) is 4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine?
The canonical SMILES for 4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine is Cc1nc(-c2cccc(OC(C)C)c2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine?
The InChIKey is DNFUBZSOFZHHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClIN2O/c1-8(2)19-11-6-4-5-10(7-11)14-17-9(3)12(16)13(15)18-14/h4-8H,1-3H3.
What are the key properties of 4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine?
4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine has a molecular weight of 388.64 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine is sourced from PubChem (CID 66313598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).