6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine

C13H19IN4 — CID 66301967

IUPAC6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCCNc1nc(N2CCCC2)nc(C2CC2)c1I
InChIInChI=1S/C13H19IN4/c1-2-15-12-10(14)11(9-5-6-9)16-13(17-12)18-7-3-4-8-18/h9H,2-8H2,1H3,(H,15,16,17)
InChIKeyLZKRHSVQMBTYKF-UHFFFAOYSA-N
MW358.23 g/mol
LogP2.99
Rot. Bonds4

About 6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine

6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 66301967) has the molecular formula C13H19IN4 and a molecular weight of 358.23 g/mol. Its IUPAC name is 6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID66301967
Molecular FormulaC13H19IN4
Molecular Weight358.23 g/mol
Exact Mass358.07
IUPAC Name6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCCNc1nc(N2CCCC2)nc(C2CC2)c1I
InChIInChI=1S/C13H19IN4/c1-2-15-12-10(14)11(9-5-6-9)16-13(17-12)18-7-3-4-8-18/h9H,2-8H2,1H3,(H,15,16,17)
InChIKeyLZKRHSVQMBTYKF-UHFFFAOYSA-N
XLogP2.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropyl-N-ethyl-5-iodo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 66302169
N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine
CID 66307589
N-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine
CID 66298577
2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66304006
5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 66301524
6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66301966
6-cyclopropyl-5-iodo-2-piperidin-1-ylpyrimidin-4-amine
CID 66301951
6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine
CID 66304213
6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 116503060
6-tert-butyl-N-ethyl-5-iodo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 66301181
6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 116503076
6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine
CID 116729923

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 66301967) is 6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine is CCNc1nc(N2CCCC2)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is LZKRHSVQMBTYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN4/c1-2-15-12-10(14)11(9-5-6-9)16-13(17-12)18-7-3-4-8-18/h9H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine?
6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 358.23 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 66301967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).