6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine

C17H28IN3 — CID 66300395

IUPAC6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine
SMILESCCNc1nc(C2CCC(CC)C2)nc(C(C)(C)C)c1I
InChIInChI=1S/C17H28IN3/c1-6-11-8-9-12(10-11)15-20-14(17(3,4)5)13(18)16(21-15)19-7-2/h11-12H,6-10H2,1-5H3,(H,19,20,21)
InChIKeyQMGCRLFUQRWOMX-UHFFFAOYSA-N
MW401.34 g/mol
LogP5.10
Rot. Bonds4

About 6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine

6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine (PubChem CID 66300395) has the molecular formula C17H28IN3 and a molecular weight of 401.34 g/mol. Its IUPAC name is 6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine
PubChem CID66300395
Molecular FormulaC17H28IN3
Molecular Weight401.34 g/mol
Exact Mass401.13
IUPAC Name6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine
SMILESCCNc1nc(C2CCC(CC)C2)nc(C(C)(C)C)c1I
InChIInChI=1S/C17H28IN3/c1-6-11-8-9-12(10-11)15-20-14(17(3,4)5)13(18)16(21-15)19-7-2/h11-12H,6-10H2,1-5H3,(H,19,20,21)
InChIKeyQMGCRLFUQRWOMX-UHFFFAOYSA-N
XLogP5.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.34
LogP ≤ 55.10
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

N-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66305718
N-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 65404241
6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine
CID 66299608
2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66299999
6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66298625
6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine
CID 66298619
N-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine
CID 65405998
2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66304006
5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine
CID 66294812
6-tert-butyl-2-[cyclopropyl(methoxy)methyl]-N-ethyl-5-iodopyrimidin-4-amine
CID 116729525
6-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine
CID 66296552
6-tert-butyl-N-ethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66300985

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine (CID 66300395) is 6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine is CCNc1nc(C2CCC(CC)C2)nc(C(C)(C)C)c1I.
What is the InChIKey of 6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine?
The InChIKey is QMGCRLFUQRWOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28IN3/c1-6-11-8-9-12(10-11)15-20-14(17(3,4)5)13(18)16(21-15)19-7-2/h11-12H,6-10H2,1-5H3,(H,19,20,21).
What are the key properties of 6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine?
6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine has a molecular weight of 401.34 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66300395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).