N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine

C10H12IN5 — CID 104844292

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine
SMILESCCc1nn(C)cc1Nc1ncc(I)cn1
InChIInChI=1S/C10H12IN5/c1-3-8-9(6-16(2)15-8)14-10-12-4-7(11)5-13-10/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyHANCRZZRZFLBHW-UHFFFAOYSA-N
MW329.15 g/mol
LogP2.12
Rot. Bonds3

About N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine

N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine (PubChem CID 104844292) has the molecular formula C10H12IN5 and a molecular weight of 329.15 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine
PubChem CID104844292
Molecular FormulaC10H12IN5
Molecular Weight329.15 g/mol
Exact Mass329.01
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine
SMILESCCc1nn(C)cc1Nc1ncc(I)cn1
InChIInChI=1S/C10H12IN5/c1-3-8-9(6-16(2)15-8)14-10-12-4-7(11)5-13-10/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyHANCRZZRZFLBHW-UHFFFAOYSA-N
XLogP2.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 52.12
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

N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-4-amine
CID 107463701
N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107465309
5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 107465162
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinylpyrimidin-4-amine
CID 107465311
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
3-N-(3-ethyl-1-methylpyrazol-4-yl)pyrazine-2,3-diamine
CID 107465112
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine
CID 107464314
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 107465221
2-N-(3-ethyl-1-methylpyrazol-4-yl)pyrazine-2,6-diamine
CID 107465113
N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylpyridin-4-amine
CID 107463662
N-(3-ethyl-1-methylpyrazol-4-yl)-6-hydrazinylpyrazin-2-amine
CID 107465301

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine (CID 104844292) is N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine is CCc1nn(C)cc1Nc1ncc(I)cn1.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine?
The InChIKey is HANCRZZRZFLBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN5/c1-3-8-9(6-16(2)15-8)14-10-12-4-7(11)5-13-10/h4-6H,3H2,1-2H3,(H,12,13,14).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine?
N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine has a molecular weight of 329.15 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine is sourced from PubChem (CID 104844292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).