2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine

C12H16IN5 — CID 112671008

IUPAC2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCCc1nn(C)cc1-c1nc(C)c(I)c(NC)n1
InChIInChI=1S/C12H16IN5/c1-5-9-8(6-18(4)17-9)11-15-7(2)10(13)12(14-3)16-11/h6H,5H2,1-4H3,(H,14,15,16)
InChIKeyLTXWQVUQKIMZMM-UHFFFAOYSA-N
MW357.20 g/mol
LogP2.39
Rot. Bonds3

About 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine

2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine (PubChem CID 112671008) has the molecular formula C12H16IN5 and a molecular weight of 357.20 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
PubChem CID112671008
Molecular FormulaC12H16IN5
Molecular Weight357.20 g/mol
Exact Mass357.05
IUPAC Name2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCCc1nn(C)cc1-c1nc(C)c(I)c(NC)n1
InChIInChI=1S/C12H16IN5/c1-5-9-8(6-18(4)17-9)11-15-7(2)10(13)12(14-3)16-11/h6H,5H2,1-4H3,(H,14,15,16)
InChIKeyLTXWQVUQKIMZMM-UHFFFAOYSA-N
XLogP2.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 112670983
2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 83085350
6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 115990752
2-(2,5-dimethylthiophen-3-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66297540
5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 83084574
3-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpyrazin-2-amine
CID 112671713
2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 83093937
4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 112670237
5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine
CID 83094484
5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine
CID 112670214
2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66296123
2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 115990831

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine (CID 112671008) is 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine is CCc1nn(C)cc1-c1nc(C)c(I)c(NC)n1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The InChIKey is LTXWQVUQKIMZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN5/c1-5-9-8(6-18(4)17-9)11-15-7(2)10(13)12(14-3)16-11/h6H,5H2,1-4H3,(H,14,15,16).
What are the key properties of 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine has a molecular weight of 357.20 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 112671008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).