4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-5-iodo-6-(2-methylpropyl)pyrimidine

C15H24ClIN2O — CID 116706684

IUPAC4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-5-iodo-6-(2-methylpropyl)pyrimidine
SMILESCCOC(c1nc(Cl)c(I)c(CC(C)C)n1)C(C)(C)C
InChIInChI=1S/C15H24ClIN2O/c1-7-20-12(15(4,5)6)14-18-10(8-9(2)3)11(17)13(16)19-14/h9,12H,7-8H2,1-6H3
InChIKeyPQKZPLRVGSRCFN-UHFFFAOYSA-N
MW410.73 g/mol
LogP5.06
Rot. Bonds5

About 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-5-iodo-6-(2-methylpropyl)pyrimidine

4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-5-iodo-6-(2-methylpropyl)pyrimidine (PubChem CID 116706684) has the molecular formula C15H24ClIN2O and a molecular weight of 410.73 g/mol. Its IUPAC name is 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-5-iodo-6-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-5-iodo-6-(2-methylpropyl)pyrimidine
PubChem CID116706684
Molecular FormulaC15H24ClIN2O
Molecular Weight410.73 g/mol
Exact Mass410.06
IUPAC Name4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-5-iodo-6-(2-methylpropyl)pyrimidine
SMILESCCOC(c1nc(Cl)c(I)c(CC(C)C)n1)C(C)(C)C
InChIInChI=1S/C15H24ClIN2O/c1-7-20-12(15(4,5)6)14-18-10(8-9(2)3)11(17)13(16)19-14/h9,12H,7-8H2,1-6H3
InChIKeyPQKZPLRVGSRCFN-UHFFFAOYSA-N
XLogP5.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.73
LogP ≤ 55.06
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

4-chloro-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine
CID 66292140
4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine
CID 116701232
4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodo-6-(2-methylpropyl)pyrimidine
CID 116746394
4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine
CID 116706453
4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine
CID 116706766
5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136997863
4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine
CID 116746401
3-[2-(1-ethoxy-2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 116731611
4,6-dichloro-2-(1-ethoxyethyl)-5-ethylpyrimidine
CID 64539437
4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715351
5-iodo-2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 116730016
4-chloro-2-(3-ethyl-1,4-dithian-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine
CID 115385602

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-5-iodo-6-(2-methylpropyl)pyrimidine?
The IUPAC name of 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-5-iodo-6-(2-methylpropyl)pyrimidine (CID 116706684) is 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-5-iodo-6-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-5-iodo-6-(2-methylpropyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-5-iodo-6-(2-methylpropyl)pyrimidine is CCOC(c1nc(Cl)c(I)c(CC(C)C)n1)C(C)(C)C.
What is the InChIKey of 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-5-iodo-6-(2-methylpropyl)pyrimidine?
The InChIKey is PQKZPLRVGSRCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClIN2O/c1-7-20-12(15(4,5)6)14-18-10(8-9(2)3)11(17)13(16)19-14/h9,12H,7-8H2,1-6H3.
What are the key properties of 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-5-iodo-6-(2-methylpropyl)pyrimidine?
4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-5-iodo-6-(2-methylpropyl)pyrimidine has a molecular weight of 410.73 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-5-iodo-6-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 116706684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).