N-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-4-amine

C14H16IN3 — CID 66304134

IUPACN-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-4-amine
SMILESCCNc1nc(CCc2ccccc2)ncc1I
InChIInChI=1S/C14H16IN3/c1-2-16-14-12(15)10-17-13(18-14)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,16,17,18)
InChIKeyNHOMDSUGVFFAJN-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.30
Rot. Bonds5

About N-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-4-amine

N-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 66304134) has the molecular formula C14H16IN3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-4-amine
PubChem CID66304134
Molecular FormulaC14H16IN3
Molecular Weight353.21 g/mol
Exact Mass353.04
IUPAC NameN-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-4-amine
SMILESCCNc1nc(CCc2ccccc2)ncc1I
InChIInChI=1S/C14H16IN3/c1-2-16-14-12(15)10-17-13(18-14)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,16,17,18)
InChIKeyNHOMDSUGVFFAJN-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-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

2-[2-(diethylamino)ethyl]-N-ethyl-5-iodopyrimidin-4-amine
CID 66301479
N-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine
CID 66302302
5-iodo-2-(2-phenylethyl)pyrimidin-4-amine
CID 66303498
2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66303735
2-benzyl-5-iodo-N-methylpyrimidin-4-amine
CID 66304334
N-ethyl-5-iodo-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
CID 66302915
N-ethyl-2-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62190523
2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66303127
2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66306395
2-[(3-bromophenyl)sulfanylmethyl]-N-ethyl-5-iodopyrimidin-4-amine
CID 66304350
2-(cyclopentylsulfanylmethyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66304146
N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine
CID 66302305

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-4-amine (CID 66304134) is N-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-4-amine is CCNc1nc(CCc2ccccc2)ncc1I.
What is the InChIKey of N-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is NHOMDSUGVFFAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3/c1-2-16-14-12(15)10-17-13(18-14)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,16,17,18).
What are the key properties of N-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-4-amine?
N-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 353.21 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 66304134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).