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

C11H14IN5 — CID 83094396

IUPAC2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2cn(C)nc2C)ncc1I
InChIInChI=1S/C11H14IN5/c1-4-13-11-9(12)5-14-10(15-11)8-6-17(3)16-7(8)2/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyHSLZLYPYYACTFN-UHFFFAOYSA-N
MW343.17 g/mol
LogP2.22
Rot. Bonds3

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

2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-iodopyrimidin-4-amine (PubChem CID 83094396) has the molecular formula C11H14IN5 and a molecular weight of 343.17 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-iodopyrimidin-4-amine
PubChem CID83094396
Molecular FormulaC11H14IN5
Molecular Weight343.17 g/mol
Exact Mass343.03
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2cn(C)nc2C)ncc1I
InChIInChI=1S/C11H14IN5/c1-4-13-11-9(12)5-14-10(15-11)8-6-17(3)16-7(8)2/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyHSLZLYPYYACTFN-UHFFFAOYSA-N
XLogP2.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 52.22
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

3-[3-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67814206
3-[5-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67818467
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006
2-N-(1,5-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281523
4-N-methyl-2-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281529
2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281678
2-N-(1-ethyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281708
N-(1,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-2-pyrimidinamine
CID 134129122
US11214565, Example D-13
CID 135374687
N~4~,6-dimethyl-N~4~-[3-(1H-pyrazol-1-yl)propyl]-2,4-pyrimidinediamine
CID 39782655
3-ethyl-5-methyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 44317959

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-iodopyrimidin-4-amine (CID 83094396) is 2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-iodopyrimidin-4-amine is CCNc1nc(-c2cn(C)nc2C)ncc1I.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-iodopyrimidin-4-amine?
The InChIKey is HSLZLYPYYACTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN5/c1-4-13-11-9(12)5-14-10(15-11)8-6-17(3)16-7(8)2/h5-6H,4H2,1-3H3,(H,13,14,15).
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-iodopyrimidin-4-amine?
2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-iodopyrimidin-4-amine has a molecular weight of 343.17 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 83094396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).