2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine

C14H17BrIN3O — CID 106889288

IUPAC2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2occc2Br)nc(CC(C)C)c1I
InChIInChI=1S/C14H17BrIN3O/c1-4-17-13-11(16)10(7-8(2)3)18-14(19-13)12-9(15)5-6-20-12/h5-6,8H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyHGURZJVSEUXDGR-UHFFFAOYSA-N
MW450.12 g/mol
LogP4.73
Rot. Bonds5

About 2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine

2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 106889288) has the molecular formula C14H17BrIN3O and a molecular weight of 450.12 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID106889288
Molecular FormulaC14H17BrIN3O
Molecular Weight450.12 g/mol
Exact Mass448.96
IUPAC Name2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2occc2Br)nc(CC(C)C)c1I
InChIInChI=1S/C14H17BrIN3O/c1-4-17-13-11(16)10(7-8(2)3)18-14(19-13)12-9(15)5-6-20-12/h5-6,8H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyHGURZJVSEUXDGR-UHFFFAOYSA-N
XLogP4.73
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.12
LogP ≤ 54.73
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

5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 104806898
2-(3-bromofuran-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 106889181
N-ethyl-5-iodo-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine
CID 81307662
2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 103445182
2-(3-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine
CID 106889189
5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 104806784
2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 106889292
6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806799
5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 104806896
2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66304800
2-(4,5-dibromofuran-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66296963
2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 106886187

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine (CID 106889288) is 2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine is CCNc1nc(-c2occc2Br)nc(CC(C)C)c1I.
What is the InChIKey of 2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is HGURZJVSEUXDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrIN3O/c1-4-17-13-11(16)10(7-8(2)3)18-14(19-13)12-9(15)5-6-20-12/h5-6,8H,4,7H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 450.12 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 106889288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).