2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine

C13H20IN3 — CID 66304006

IUPAC2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(C2CC2)c1I
InChIInChI=1S/C13H20IN3/c1-5-15-11-9(14)10(8-6-7-8)16-12(17-11)13(2,3)4/h8H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyGBSFETCVGCRFDW-UHFFFAOYSA-N
MW345.23 g/mol
LogP3.69
Rot. Bonds3

About 2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine

2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine (PubChem CID 66304006) has the molecular formula C13H20IN3 and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine
PubChem CID66304006
Molecular FormulaC13H20IN3
Molecular Weight345.23 g/mol
Exact Mass345.07
IUPAC Name2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(C2CC2)c1I
InChIInChI=1S/C13H20IN3/c1-5-15-11-9(14)10(8-6-7-8)16-12(17-11)13(2,3)4/h8H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyGBSFETCVGCRFDW-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66301966
2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66299999
6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 66301967
6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
CID 116777235
6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine
CID 66304213
6-cyclopropyl-N-ethyl-5-iodo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 66302169
6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 116503060
6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 79196796
6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine
CID 116729923
6-cyclopropyl-N-ethyl-5-iodo-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 104771541
6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66313769
6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 116503076

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine (CID 66304006) is 2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine is CCNc1nc(C(C)(C)C)nc(C2CC2)c1I.
What is the InChIKey of 2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine?
The InChIKey is GBSFETCVGCRFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3/c1-5-15-11-9(14)10(8-6-7-8)16-12(17-11)13(2,3)4/h8H,5-7H2,1-4H3,(H,15,16,17).
What are the key properties of 2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine?
2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine has a molecular weight of 345.23 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66304006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).