2-cyclopropyl-4-(2-iodo-5-methylphenoxy)pyrimidine

C14H13IN2O — CID 133355776

IUPAC2-cyclopropyl-4-(2-iodo-5-methylphenoxy)pyrimidine
SMILESCc1ccc(I)c(Oc2ccnc(C3CC3)n2)c1
InChIInChI=1S/C14H13IN2O/c1-9-2-5-11(15)12(8-9)18-13-6-7-16-14(17-13)10-3-4-10/h2,5-8,10H,3-4H2,1H3
InChIKeyFHBNIPLEUGLDBS-UHFFFAOYSA-N
MW352.18 g/mol
LogP4.06
Rot. Bonds3

About 2-cyclopropyl-4-(2-iodo-5-methylphenoxy)pyrimidine

2-cyclopropyl-4-(2-iodo-5-methylphenoxy)pyrimidine (PubChem CID 133355776) has the molecular formula C14H13IN2O and a molecular weight of 352.18 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-iodo-5-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-iodo-5-methylphenoxy)pyrimidine
PubChem CID133355776
Molecular FormulaC14H13IN2O
Molecular Weight352.18 g/mol
Exact Mass352.01
IUPAC Name2-cyclopropyl-4-(2-iodo-5-methylphenoxy)pyrimidine
SMILESCc1ccc(I)c(Oc2ccnc(C3CC3)n2)c1
InChIInChI=1S/C14H13IN2O/c1-9-2-5-11(15)12(8-9)18-13-6-7-16-14(17-13)10-3-4-10/h2,5-8,10H,3-4H2,1H3
InChIKeyFHBNIPLEUGLDBS-UHFFFAOYSA-N
XLogP4.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-chloro-2-methyl-5-nitrophenoxy)-2-cyclopropylpyrimidine
CID 133309272
4-(2,5-dimethylphenoxy)pyrimidin-2-amine
CID 80864136
2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine
CID 64854240
2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80988869
4-(2-iodo-5-methylphenoxy)-2-(methoxymethyl)-6-methylpyrimidine
CID 133355815
4-chloro-2-cyclopropyl-6-(2-iodo-5-nitrophenoxy)pyrimidine
CID 133498824
6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965650
4-methyl-3-(2-methylpyrimidin-4-yl)oxyaniline
CID 62770055
4-(4-methylpyrimidin-2-yl)cyclohexan-1-ol
CID 116901966
3-(difluoromethyl)-6-(2-iodo-5-methylphenoxy)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133428558
2-chloro-4-(2-methylphenoxy)pyrimidine
CID 12679948

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-iodo-5-methylphenoxy)pyrimidine?
The IUPAC name of 2-cyclopropyl-4-(2-iodo-5-methylphenoxy)pyrimidine (CID 133355776) is 2-cyclopropyl-4-(2-iodo-5-methylphenoxy)pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-(2-iodo-5-methylphenoxy)pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-(2-iodo-5-methylphenoxy)pyrimidine is Cc1ccc(I)c(Oc2ccnc(C3CC3)n2)c1.
What is the InChIKey of 2-cyclopropyl-4-(2-iodo-5-methylphenoxy)pyrimidine?
The InChIKey is FHBNIPLEUGLDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O/c1-9-2-5-11(15)12(8-9)18-13-6-7-16-14(17-13)10-3-4-10/h2,5-8,10H,3-4H2,1H3.
What are the key properties of 2-cyclopropyl-4-(2-iodo-5-methylphenoxy)pyrimidine?
2-cyclopropyl-4-(2-iodo-5-methylphenoxy)pyrimidine has a molecular weight of 352.18 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-iodo-5-methylphenoxy)pyrimidine is sourced from PubChem (CID 133355776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).