4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine

C12H11ClIN3O — CID 113457185

IUPAC4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine
SMILESCOCc1nc(-c2ccc(C)nc2)nc(Cl)c1I
InChIInChI=1S/C12H11ClIN3O/c1-7-3-4-8(5-15-7)12-16-9(6-18-2)10(14)11(13)17-12/h3-5H,6H2,1-2H3
InChIKeyOWLUOIYTDBZHRZ-UHFFFAOYSA-N
MW375.60 g/mol
LogP3.25
Rot. Bonds3

About 4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine

4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine (PubChem CID 113457185) has the molecular formula C12H11ClIN3O and a molecular weight of 375.60 g/mol. Its IUPAC name is 4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine
PubChem CID113457185
Molecular FormulaC12H11ClIN3O
Molecular Weight375.60 g/mol
Exact Mass374.96
IUPAC Name4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine
SMILESCOCc1nc(-c2ccc(C)nc2)nc(Cl)c1I
InChIInChI=1S/C12H11ClIN3O/c1-7-3-4-8(5-15-7)12-16-9(6-18-2)10(14)11(13)17-12/h3-5H,6H2,1-2H3
InChIKeyOWLUOIYTDBZHRZ-UHFFFAOYSA-N
XLogP3.25
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.60
LogP ≤ 53.25
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

4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine
CID 104822846
2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 113336859
4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66313448
4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66294483
4-chloro-2-(4-chloro-3-fluorophenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66313450
4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine
CID 104822835
3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol
CID 66314034
4-chloro-5-iodo-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine
CID 66294897
4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 103570156
4-chloro-2-(5-fluoro-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 79722788
5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole
CID 107124705
2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-4-methyl-1,3-thiazole
CID 104770985

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine?
The IUPAC name of 4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine (CID 113457185) is 4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine?
The canonical SMILES for 4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine is COCc1nc(-c2ccc(C)nc2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine?
The InChIKey is OWLUOIYTDBZHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClIN3O/c1-7-3-4-8(5-15-7)12-16-9(6-18-2)10(14)11(13)17-12/h3-5H,6H2,1-2H3.
What are the key properties of 4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine?
4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine has a molecular weight of 375.60 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine is sourced from PubChem (CID 113457185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).