5-iodo-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C9H11F3IN3 — CID 66307366

IUPAC5-iodo-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCc1nc(CC(F)(F)F)nc(N)c1I
InChIInChI=1S/C9H11F3IN3/c1-2-3-5-7(13)8(14)16-6(15-5)4-9(10,11)12/h2-4H2,1H3,(H2,14,15,16)
InChIKeyIXSZQOVOMLTSTP-UHFFFAOYSA-N
MW345.11 g/mol
LogP2.72
Rot. Bonds3

About 5-iodo-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

5-iodo-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 66307366) has the molecular formula C9H11F3IN3 and a molecular weight of 345.11 g/mol. Its IUPAC name is 5-iodo-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID66307366
Molecular FormulaC9H11F3IN3
Molecular Weight345.11 g/mol
Exact Mass344.99
IUPAC Name5-iodo-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCc1nc(CC(F)(F)F)nc(N)c1I
InChIInChI=1S/C9H11F3IN3/c1-2-3-5-7(13)8(14)16-6(15-5)4-9(10,11)12/h2-4H2,1H3,(H2,14,15,16)
InChIKeyIXSZQOVOMLTSTP-UHFFFAOYSA-N
XLogP2.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.11
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-iodo-6-propyl-2-(2,2,2-trifluoroethyl)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

5-Iodo-4,6-dimethylpyrimidin-2-amine
CID 619288
5-Iodo-2,6-dimethylpyrimidin-4-amine
CID 819167
5-Iodo-4-methyl-6-pentylpyrimidin-2-amine
CID 135260347
6-Methyl-5-propylpyrimidine-2,4-diamine
CID 44356854
4-Amino-2-methyl-6-pentafluoroethyl-5-trifluoromethylpyrimidine
CID 2246209
4-Fluoro-2-methyl-6-pentafluoroethyl-5-trifluoromethylpyrimidine
CID 11130278
2,6-Diethyl-5-methylpyrimidin-4-amine
CID 248110
5-Iodo-2,4,6-trimethylpyrimidine
CID 10911871
5-Fluoro-4-hexyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 14112678
6-Ethyl-5-iodopyrimidine-2,4-diamine
CID 11254067
4-Pyrimidinamine, 5-ethyl-2,6-dipropyl-
CID 12285747
2-Methyl-4-pentyl-6-(trifluoromethyl)pyrimidine
CID 15365206

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 66307366) is 5-iodo-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCCc1nc(CC(F)(F)F)nc(N)c1I.
What is the InChIKey of 5-iodo-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is IXSZQOVOMLTSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3IN3/c1-2-3-5-7(13)8(14)16-6(15-5)4-9(10,11)12/h2-4H2,1H3,(H2,14,15,16).
What are the key properties of 5-iodo-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
5-iodo-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 345.11 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 66307366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).