N-ethyl-5-iodo-6-phenyl-2-propan-2-ylpyrimidin-4-amine

C15H18IN3 — CID 66304850

IUPACN-ethyl-5-iodo-6-phenyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(-c2ccccc2)c1I
InChIInChI=1S/C15H18IN3/c1-4-17-15-12(16)13(11-8-6-5-7-9-11)18-14(19-15)10(2)3/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyJMYVVGPNYBLSQP-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.30
Rot. Bonds4

About N-ethyl-5-iodo-6-phenyl-2-propan-2-ylpyrimidin-4-amine

N-ethyl-5-iodo-6-phenyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 66304850) has the molecular formula C15H18IN3 and a molecular weight of 367.23 g/mol. Its IUPAC name is N-ethyl-5-iodo-6-phenyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-6-phenyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID66304850
Molecular FormulaC15H18IN3
Molecular Weight367.23 g/mol
Exact Mass367.05
IUPAC NameN-ethyl-5-iodo-6-phenyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(-c2ccccc2)c1I
InChIInChI=1S/C15H18IN3/c1-4-17-15-12(16)13(11-8-6-5-7-9-11)18-14(19-15)10(2)3/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyJMYVVGPNYBLSQP-UHFFFAOYSA-N
XLogP4.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-ethyl-5-iodo-6-phenyl-2-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-5-iodo-6-phenyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 66305650
N,6-diethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66298311
N-ethyl-5-iodo-6-phenyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66307036
5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine
CID 66306247
2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine
CID 116729288
N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66300272
6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66301966
6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66299219
2-(ethylsulfanylmethyl)-5-iodo-6-phenyl-N-propylpyrimidin-4-amine
CID 66306839
5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile
CID 13336955
methyl 5-iodo-4-phenyl-6-(propylamino)pyrimidine-2-carboxylate
CID 66306447
2-(2,2-dimethylpropyl)-N-ethyl-5-methyl-6-phenylpyrimidin-4-amine
CID 104846876

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-6-phenyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-6-phenyl-2-propan-2-ylpyrimidin-4-amine (CID 66304850) is N-ethyl-5-iodo-6-phenyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-6-phenyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-6-phenyl-2-propan-2-ylpyrimidin-4-amine is CCNc1nc(C(C)C)nc(-c2ccccc2)c1I.
What is the InChIKey of N-ethyl-5-iodo-6-phenyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is JMYVVGPNYBLSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3/c1-4-17-15-12(16)13(11-8-6-5-7-9-11)18-14(19-15)10(2)3/h5-10H,4H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-5-iodo-6-phenyl-2-propan-2-ylpyrimidin-4-amine?
N-ethyl-5-iodo-6-phenyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 367.23 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-6-phenyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66304850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).