6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine

C11H11ClF3N5 — CID 106196425

IUPAC6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(NCCCc2ncc[nH]2)n1
InChIInChI=1S/C11H11ClF3N5/c12-7-6-9(20-10(19-7)11(13,14)15)16-3-1-2-8-17-4-5-18-8/h4-6H,1-3H2,(H,17,18)(H,16,19,20)
InChIKeyWNPSQMSMHQRUIO-UHFFFAOYSA-N
MW305.69 g/mol
LogP2.92
Rot. Bonds5

About 6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106196425) has the molecular formula C11H11ClF3N5 and a molecular weight of 305.69 g/mol. Its IUPAC name is 6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106196425
Molecular FormulaC11H11ClF3N5
Molecular Weight305.69 g/mol
Exact Mass305.07
IUPAC Name6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(NCCCc2ncc[nH]2)n1
InChIInChI=1S/C11H11ClF3N5/c12-7-6-9(20-10(19-7)11(13,14)15)16-3-1-2-8-17-4-5-18-8/h4-6H,1-3H2,(H,17,18)(H,16,19,20)
InChIKeyWNPSQMSMHQRUIO-UHFFFAOYSA-N
XLogP2.92
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)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

6-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106196856
5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 107318321
N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 106767627
2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol
CID 106311254
3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine
CID 114156826
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106341663
6-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106193155
N-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 106767206
6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767375
6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767357
6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106195536
N-[2-(azepan-1-yl)ethyl]-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106194008

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106196425) is 6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1nc(Cl)cc(NCCCc2ncc[nH]2)n1.
What is the InChIKey of 6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WNPSQMSMHQRUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N5/c12-7-6-9(20-10(19-7)11(13,14)15)16-3-1-2-8-17-4-5-18-8/h4-6H,1-3H2,(H,17,18)(H,16,19,20).
What are the key properties of 6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 305.69 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106196425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).