6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine

C15H26IN3 — CID 66298625

IUPAC6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(CC(C)(C)C)nc(C(C)(C)C)c1I
InChIInChI=1S/C15H26IN3/c1-8-17-13-11(16)12(15(5,6)7)18-10(19-13)9-14(2,3)4/h8-9H2,1-7H3,(H,17,18,19)
InChIKeyNMYJMIBSMIRETP-UHFFFAOYSA-N
MW375.30 g/mol
LogP4.40
Rot. Bonds3

About 6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine

6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine (PubChem CID 66298625) has the molecular formula C15H26IN3 and a molecular weight of 375.30 g/mol. Its IUPAC name is 6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
PubChem CID66298625
Molecular FormulaC15H26IN3
Molecular Weight375.30 g/mol
Exact Mass375.12
IUPAC Name6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(CC(C)(C)C)nc(C(C)(C)C)c1I
InChIInChI=1S/C15H26IN3/c1-8-17-13-11(16)12(15(5,6)7)18-10(19-13)9-14(2,3)4/h8-9H2,1-7H3,(H,17,18,19)
InChIKeyNMYJMIBSMIRETP-UHFFFAOYSA-N
XLogP4.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 54.40
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

2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 79411802
2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299095
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-5-iodo-N,2-dipropylpyrimidin-4-amine
CID 66299026
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
2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66303735
6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66299219
6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine
CID 66300395
6-tert-butyl-N-ethyl-5-iodo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 66301181
6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806799

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine (CID 66298625) is 6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine is CCNc1nc(CC(C)(C)C)nc(C(C)(C)C)c1I.
What is the InChIKey of 6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine?
The InChIKey is NMYJMIBSMIRETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26IN3/c1-8-17-13-11(16)12(15(5,6)7)18-10(19-13)9-14(2,3)4/h8-9H2,1-7H3,(H,17,18,19).
What are the key properties of 6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine?
6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine has a molecular weight of 375.30 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66298625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).