2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine

C15H26IN3O — CID 116729448

IUPAC2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(OCC)C(C)C)nc(NCC)c1I
InChIInChI=1S/C15H26IN3O/c1-6-9-11-12(16)14(17-7-2)19-15(18-11)13(10(4)5)20-8-3/h10,13H,6-9H2,1-5H3,(H,17,18,19)
InChIKeyDCNLKWDEECOWDT-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.20
Rot. Bonds8

About 2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine

2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine (PubChem CID 116729448) has the molecular formula C15H26IN3O and a molecular weight of 391.30 g/mol. Its IUPAC name is 2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
PubChem CID116729448
Molecular FormulaC15H26IN3O
Molecular Weight391.30 g/mol
Exact Mass391.11
IUPAC Name2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(OCC)C(C)C)nc(NCC)c1I
InChIInChI=1S/C15H26IN3O/c1-6-9-11-12(16)14(17-7-2)19-15(18-11)13(10(4)5)20-8-3/h10,13H,6-9H2,1-5H3,(H,17,18,19)
InChIKeyDCNLKWDEECOWDT-UHFFFAOYSA-N
XLogP4.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.20
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

N-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine
CID 116729449
N-ethyl-5-iodo-2-(1-methylsulfonylethyl)-6-propylpyrimidin-4-amine
CID 116633231
N,6-diethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66298311
2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66305995
4-chloro-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine
CID 66292140
N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine
CID 66307186
2-(2-ethoxybutan-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 116776679
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 116729687
N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine
CID 66307589
2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 116729776
N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116729761
2-(1-ethoxybutyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 116729852

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine (CID 116729448) is 2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine is CCCc1nc(C(OCC)C(C)C)nc(NCC)c1I.
What is the InChIKey of 2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
The InChIKey is DCNLKWDEECOWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26IN3O/c1-6-9-11-12(16)14(17-7-2)19-15(18-11)13(10(4)5)20-8-3/h10,13H,6-9H2,1-5H3,(H,17,18,19).
What are the key properties of 2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine has a molecular weight of 391.30 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine is sourced from PubChem (CID 116729448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).