4-chloro-6-cyclopropyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidine

C15H14ClIN2O — CID 66312889

IUPAC4-chloro-6-cyclopropyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidine
SMILESCOCc1cccc(-c2nc(Cl)c(I)c(C3CC3)n2)c1
InChIInChI=1S/C15H14ClIN2O/c1-20-8-9-3-2-4-11(7-9)15-18-13(10-5-6-10)12(17)14(16)19-15/h2-4,7,10H,5-6,8H2,1H3
InChIKeyXNYQRELZJDCUAK-UHFFFAOYSA-N
MW400.65 g/mol
LogP4.43
Rot. Bonds4

About 4-chloro-6-cyclopropyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidine

4-chloro-6-cyclopropyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidine (PubChem CID 66312889) has the molecular formula C15H14ClIN2O and a molecular weight of 400.65 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidine
PubChem CID66312889
Molecular FormulaC15H14ClIN2O
Molecular Weight400.65 g/mol
Exact Mass399.98
IUPAC Name4-chloro-6-cyclopropyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidine
SMILESCOCc1cccc(-c2nc(Cl)c(I)c(C3CC3)n2)c1
InChIInChI=1S/C15H14ClIN2O/c1-20-8-9-3-2-4-11(7-9)15-18-13(10-5-6-10)12(17)14(16)19-15/h2-4,7,10H,5-6,8H2,1H3
InChIKeyXNYQRELZJDCUAK-UHFFFAOYSA-N
XLogP4.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.65
LogP ≤ 54.43
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

5-bromo-6-cyclopropyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 66297263
4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine
CID 66292488
4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine
CID 66293487
3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol
CID 66314034
4-chloro-2-(3-cyclopropylphenyl)-5-iodo-6-methylpyrimidine
CID 79980471
4-chloro-6-cyclopropyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidine
CID 66292286
4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine
CID 66293287
4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine
CID 66292684
4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol
CID 136730066
6-tert-butyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 66298090
2-[(3-bromophenyl)methyl]-4-chloro-6-cyclopropyl-5-iodopyrimidine
CID 66293895
4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine
CID 113390292

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidine (CID 66312889) is 4-chloro-6-cyclopropyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidine is COCc1cccc(-c2nc(Cl)c(I)c(C3CC3)n2)c1.
What is the InChIKey of 4-chloro-6-cyclopropyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidine?
The InChIKey is XNYQRELZJDCUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIN2O/c1-20-8-9-3-2-4-11(7-9)15-18-13(10-5-6-10)12(17)14(16)19-15/h2-4,7,10H,5-6,8H2,1H3.
What are the key properties of 4-chloro-6-cyclopropyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidine?
4-chloro-6-cyclopropyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidine has a molecular weight of 400.65 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidine is sourced from PubChem (CID 66312889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).