2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine

C16H20IN3O — CID 116729288

IUPAC2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine
SMILESCCOC(CC)c1nc(NC)c(I)c(-c2ccccc2)n1
InChIInChI=1S/C16H20IN3O/c1-4-12(21-5-2)15-19-14(11-9-7-6-8-10-11)13(17)16(18-3)20-15/h6-10,12H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyNPXXITFXRYCJOQ-UHFFFAOYSA-N
MW397.26 g/mol
LogP4.28
Rot. Bonds6

About 2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine

2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine (PubChem CID 116729288) has the molecular formula C16H20IN3O and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine
PubChem CID116729288
Molecular FormulaC16H20IN3O
Molecular Weight397.26 g/mol
Exact Mass397.07
IUPAC Name2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine
SMILESCCOC(CC)c1nc(NC)c(I)c(-c2ccccc2)n1
InChIInChI=1S/C16H20IN3O/c1-4-12(21-5-2)15-19-14(11-9-7-6-8-10-11)13(17)16(18-3)20-15/h6-10,12H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyNPXXITFXRYCJOQ-UHFFFAOYSA-N
XLogP4.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.28
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-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116729749
N-ethyl-5-iodo-6-phenyl-2-propan-2-ylpyrimidin-4-amine
CID 66304850
4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine
CID 116706347
5-iodo-2-(2-methoxyethyl)-N-methyl-6-phenylpyrimidin-4-amine
CID 66292297
5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116729550
2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine
CID 116730198
2-(furan-3-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine
CID 66306045
2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 116729367
5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine
CID 66306247
N-ethyl-5-iodo-6-phenyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 66305650
2-(4-chlorothiophen-2-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine
CID 79422021
2-(1-ethoxybutyl)-6-phenylpyrimidin-4-amine
CID 116728590

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine (CID 116729288) is 2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine is CCOC(CC)c1nc(NC)c(I)c(-c2ccccc2)n1.
What is the InChIKey of 2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine?
The InChIKey is NPXXITFXRYCJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3O/c1-4-12(21-5-2)15-19-14(11-9-7-6-8-10-11)13(17)16(18-3)20-15/h6-10,12H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine?
2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine has a molecular weight of 397.26 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 116729288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).