4-(2-iodo-5-methylphenoxy)-2-(methoxymethyl)-6-methylpyrimidine

C14H15IN2O2 — CID 133355815

IUPAC4-(2-iodo-5-methylphenoxy)-2-(methoxymethyl)-6-methylpyrimidine
SMILESCOCc1nc(C)cc(Oc2cc(C)ccc2I)n1
InChIInChI=1S/C14H15IN2O2/c1-9-4-5-11(15)12(6-9)19-14-7-10(2)16-13(17-14)8-18-3/h4-7H,8H2,1-3H3
InChIKeyAJTYIXAEFCSUJS-UHFFFAOYSA-N
MW370.19 g/mol
LogP3.64
Rot. Bonds4

About 4-(2-iodo-5-methylphenoxy)-2-(methoxymethyl)-6-methylpyrimidine

4-(2-iodo-5-methylphenoxy)-2-(methoxymethyl)-6-methylpyrimidine (PubChem CID 133355815) has the molecular formula C14H15IN2O2 and a molecular weight of 370.19 g/mol. Its IUPAC name is 4-(2-iodo-5-methylphenoxy)-2-(methoxymethyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-(2-iodo-5-methylphenoxy)-2-(methoxymethyl)-6-methylpyrimidine
PubChem CID133355815
Molecular FormulaC14H15IN2O2
Molecular Weight370.19 g/mol
Exact Mass370.02
IUPAC Name4-(2-iodo-5-methylphenoxy)-2-(methoxymethyl)-6-methylpyrimidine
SMILESCOCc1nc(C)cc(Oc2cc(C)ccc2I)n1
InChIInChI=1S/C14H15IN2O2/c1-9-4-5-11(15)12(6-9)19-14-7-10(2)16-13(17-14)8-18-3/h4-7H,8H2,1-3H3
InChIKeyAJTYIXAEFCSUJS-UHFFFAOYSA-N
XLogP3.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-iodo-5-methylphenoxy)pyrido[2,3-b]pyrazine
CID 133355817
4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80874328
2-cyclopropyl-4-(2-iodo-5-methylphenoxy)pyrimidine
CID 133355776
N-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide
CID 133348014
[2-ethyl-6-(2-methoxy-4-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80940996
4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine
CID 107664612
2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 59096535
2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768122
2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid
CID 61396292
4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine
CID 80942843
4-(2-tert-butyl-5-methylphenoxy)-2-chloro-6-methylpyrimidine
CID 63506097
4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile
CID 107669821

Frequently Asked Questions

What is the IUPAC name of 4-(2-iodo-5-methylphenoxy)-2-(methoxymethyl)-6-methylpyrimidine?
The IUPAC name of 4-(2-iodo-5-methylphenoxy)-2-(methoxymethyl)-6-methylpyrimidine (CID 133355815) is 4-(2-iodo-5-methylphenoxy)-2-(methoxymethyl)-6-methylpyrimidine.
What is the SMILES notation for 4-(2-iodo-5-methylphenoxy)-2-(methoxymethyl)-6-methylpyrimidine?
The canonical SMILES for 4-(2-iodo-5-methylphenoxy)-2-(methoxymethyl)-6-methylpyrimidine is COCc1nc(C)cc(Oc2cc(C)ccc2I)n1.
What is the InChIKey of 4-(2-iodo-5-methylphenoxy)-2-(methoxymethyl)-6-methylpyrimidine?
The InChIKey is AJTYIXAEFCSUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O2/c1-9-4-5-11(15)12(6-9)19-14-7-10(2)16-13(17-14)8-18-3/h4-7H,8H2,1-3H3.
What are the key properties of 4-(2-iodo-5-methylphenoxy)-2-(methoxymethyl)-6-methylpyrimidine?
4-(2-iodo-5-methylphenoxy)-2-(methoxymethyl)-6-methylpyrimidine has a molecular weight of 370.19 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodo-5-methylphenoxy)-2-(methoxymethyl)-6-methylpyrimidine is sourced from PubChem (CID 133355815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).