2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine

C14H16IN3 — CID 66295896

IUPAC2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2cc(C)cc(C)c2)ncc1I
InChIInChI=1S/C14H16IN3/c1-4-16-14-12(15)8-17-13(18-14)11-6-9(2)5-10(3)7-11/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyBNLBMAXWQRZESC-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.80
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine

2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine (PubChem CID 66295896) has the molecular formula C14H16IN3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
PubChem CID66295896
Molecular FormulaC14H16IN3
Molecular Weight353.21 g/mol
Exact Mass353.04
IUPAC Name2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2cc(C)cc(C)c2)ncc1I
InChIInChI=1S/C14H16IN3/c1-4-16-14-12(15)8-17-13(18-14)11-6-9(2)5-10(3)7-11/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyBNLBMAXWQRZESC-UHFFFAOYSA-N
XLogP3.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine
CID 66302305
N-ethyl-5-iodo-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 66302094
2-(3,4-dimethoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66301892
2-(4-cyclopropylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 79980765
2-(3-chloro-4-methoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66295319
N-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66295324
2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-iodopyrimidin-4-amine
CID 83094396
2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66303735
2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66303127
5-iodo-2-phenyl-N-propylpyrimidin-4-amine
CID 66303336
5-bromo-2-(3,5-dimethylphenyl)-N,6-diethylpyrimidin-4-amine
CID 66295796
2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66423303

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine (CID 66295896) is 2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine is CCNc1nc(-c2cc(C)cc(C)c2)ncc1I.
What is the InChIKey of 2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine?
The InChIKey is BNLBMAXWQRZESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3/c1-4-16-14-12(15)8-17-13(18-14)11-6-9(2)5-10(3)7-11/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine?
2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine has a molecular weight of 353.21 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66295896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).