2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine

C12H14IN5 — CID 80966267

IUPAC2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(-n2cc(I)cn2)nc(C2CC2)n1
InChIInChI=1S/C12H14IN5/c1-2-14-10-5-11(18-7-9(13)6-15-18)17-12(16-10)8-3-4-8/h5-8H,2-4H2,1H3,(H,14,16,17)
InChIKeySWCWKXYWRFJJMT-UHFFFAOYSA-N
MW355.18 g/mol
LogP2.58
Rot. Bonds4

About 2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine

2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine (PubChem CID 80966267) has the molecular formula C12H14IN5 and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine
PubChem CID80966267
Molecular FormulaC12H14IN5
Molecular Weight355.18 g/mol
Exact Mass355.03
IUPAC Name2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(-n2cc(I)cn2)nc(C2CC2)n1
InChIInChI=1S/C12H14IN5/c1-2-14-10-5-11(18-7-9(13)6-15-18)17-12(16-10)8-3-4-8/h5-8H,2-4H2,1H3,(H,14,16,17)
InChIKeySWCWKXYWRFJJMT-UHFFFAOYSA-N
XLogP2.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.58
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-cyclopropyl-N-ethyl-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine
CID 80965817
6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80966016
[2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80968430
6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965540
2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80967631
2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-N-ethylpyrimidin-4-amine
CID 80966773
2-cyclopropyl-6-(3,5-diethylpyrazol-1-yl)-N-ethylpyrimidin-4-amine
CID 82698934
2-cyclopropyl-4-(4-iodopyrazol-1-yl)-1H-pyrimidin-6-one
CID 136979494
[6-(4-chloropyrazol-1-yl)-2-cyclopropylpyrimidin-4-yl]hydrazine
CID 80968944
2-cyclopropyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320790
1-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80956690
[1-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 80967620

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine (CID 80966267) is 2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine is CCNc1cc(-n2cc(I)cn2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is SWCWKXYWRFJJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN5/c1-2-14-10-5-11(18-7-9(13)6-15-18)17-12(16-10)8-3-4-8/h5-8H,2-4H2,1H3,(H,14,16,17).
What are the key properties of 2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine?
2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 355.18 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80966267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).