N-ethyl-5-iodo-2-(phenoxymethyl)-6-propylpyrimidin-4-amine

C16H20IN3O — CID 66306782

IUPACN-ethyl-5-iodo-2-(phenoxymethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(COc2ccccc2)nc(NCC)c1I
InChIInChI=1S/C16H20IN3O/c1-3-8-13-15(17)16(18-4-2)20-14(19-13)11-21-12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,18,19,20)
InChIKeyBSJOHGDNUBUPOU-UHFFFAOYSA-N
MW397.26 g/mol
LogP4.04
Rot. Bonds7

About N-ethyl-5-iodo-2-(phenoxymethyl)-6-propylpyrimidin-4-amine

N-ethyl-5-iodo-2-(phenoxymethyl)-6-propylpyrimidin-4-amine (PubChem CID 66306782) has the molecular formula C16H20IN3O and a molecular weight of 397.26 g/mol. Its IUPAC name is N-ethyl-5-iodo-2-(phenoxymethyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-2-(phenoxymethyl)-6-propylpyrimidin-4-amine
PubChem CID66306782
Molecular FormulaC16H20IN3O
Molecular Weight397.26 g/mol
Exact Mass397.07
IUPAC NameN-ethyl-5-iodo-2-(phenoxymethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(COc2ccccc2)nc(NCC)c1I
InChIInChI=1S/C16H20IN3O/c1-3-8-13-15(17)16(18-4-2)20-14(19-13)11-21-12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,18,19,20)
InChIKeyBSJOHGDNUBUPOU-UHFFFAOYSA-N
XLogP4.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.04
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

2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66306395
2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66305995
N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine
CID 66307186
6-tert-butyl-5-iodo-N-methyl-2-(phenoxymethyl)pyrimidin-4-amine
CID 66305233
5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine
CID 66304606
2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66304800
3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol
CID 66296345
N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine
CID 66306784
N-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66306988
[2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 62717068
N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine
CID 66298694
N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66300272

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-2-(phenoxymethyl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-2-(phenoxymethyl)-6-propylpyrimidin-4-amine (CID 66306782) is N-ethyl-5-iodo-2-(phenoxymethyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-2-(phenoxymethyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-2-(phenoxymethyl)-6-propylpyrimidin-4-amine is CCCc1nc(COc2ccccc2)nc(NCC)c1I.
What is the InChIKey of N-ethyl-5-iodo-2-(phenoxymethyl)-6-propylpyrimidin-4-amine?
The InChIKey is BSJOHGDNUBUPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3O/c1-3-8-13-15(17)16(18-4-2)20-14(19-13)11-21-12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,18,19,20).
What are the key properties of N-ethyl-5-iodo-2-(phenoxymethyl)-6-propylpyrimidin-4-amine?
N-ethyl-5-iodo-2-(phenoxymethyl)-6-propylpyrimidin-4-amine has a molecular weight of 397.26 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-2-(phenoxymethyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66306782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).