4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine

C13H18ClIN2O — CID 116706453

IUPAC4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine
SMILESCCCc1nc(C(OCC)C2CC2)nc(Cl)c1I
InChIInChI=1S/C13H18ClIN2O/c1-3-5-9-10(15)12(14)17-13(16-9)11(18-4-2)8-6-7-8/h8,11H,3-7H2,1-2H3
InChIKeyMJBKFVWECLUTNK-UHFFFAOYSA-N
MW380.66 g/mol
LogP4.17
Rot. Bonds6

About 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine

4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine (PubChem CID 116706453) has the molecular formula C13H18ClIN2O and a molecular weight of 380.66 g/mol. Its IUPAC name is 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine
PubChem CID116706453
Molecular FormulaC13H18ClIN2O
Molecular Weight380.66 g/mol
Exact Mass380.02
IUPAC Name4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine
SMILESCCCc1nc(C(OCC)C2CC2)nc(Cl)c1I
InChIInChI=1S/C13H18ClIN2O/c1-3-5-9-10(15)12(14)17-13(16-9)11(18-4-2)8-6-7-8/h8,11H,3-7H2,1-2H3
InChIKeyMJBKFVWECLUTNK-UHFFFAOYSA-N
XLogP4.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.66
LogP ≤ 54.17
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

4-chloro-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine
CID 66292140
4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine
CID 116706711
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 116729687
4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodo-6-(2-methylpropyl)pyrimidine
CID 116746394
4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine
CID 116746025
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
CID 116728820
N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731734
2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine
CID 116776337
4-tert-butyl-6-chloro-2-[cyclohexyl(ethoxy)methyl]pyrimidine
CID 116745713
4-chloro-6-cyclopentyl-2-(1-ethoxyethyl)-5-iodopyrimidine
CID 113390284
4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-5-iodo-6-(2-methylpropyl)pyrimidine
CID 116706684
2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728665

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine (CID 116706453) is 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine is CCCc1nc(C(OCC)C2CC2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine?
The InChIKey is MJBKFVWECLUTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClIN2O/c1-3-5-9-10(15)12(14)17-13(16-9)11(18-4-2)8-6-7-8/h8,11H,3-7H2,1-2H3.
What are the key properties of 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine?
4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine has a molecular weight of 380.66 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine is sourced from PubChem (CID 116706453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).