6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine

C10H9ClF3N5 — CID 106767357

IUPAC6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(NCCn2ccnc2)n1
InChIInChI=1S/C10H9ClF3N5/c11-7-5-8(18-9(17-7)10(12,13)14)16-2-4-19-3-1-15-6-19/h1,3,5-6H,2,4H2,(H,16,17,18)
InChIKeyWVEMTMKCBDVUOQ-UHFFFAOYSA-N
MW291.66 g/mol
LogP2.46
Rot. Bonds4

About 6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767357) has the molecular formula C10H9ClF3N5 and a molecular weight of 291.66 g/mol. Its IUPAC name is 6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767357
Molecular FormulaC10H9ClF3N5
Molecular Weight291.66 g/mol
Exact Mass291.05
IUPAC Name6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(NCCn2ccnc2)n1
InChIInChI=1S/C10H9ClF3N5/c11-7-5-8(18-9(17-7)10(12,13)14)16-2-4-19-3-1-15-6-19/h1,3,5-6H,2,4H2,(H,16,17,18)
InChIKeyWVEMTMKCBDVUOQ-UHFFFAOYSA-N
XLogP2.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775475
2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine
CID 80946117
N-[2-(azepan-1-yl)ethyl]-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106194008
6-chloro-N-(4-imidazol-1-ylbutyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547015
5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 107318321
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106341663
N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60632035
6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767375
6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106195536
4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine
CID 106768557
6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propylpyrimidin-4-amine
CID 80947963
4-(2-imidazol-1-ylethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709977

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767357) is 6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1nc(Cl)cc(NCCn2ccnc2)n1.
What is the InChIKey of 6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WVEMTMKCBDVUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N5/c11-7-5-8(18-9(17-7)10(12,13)14)16-2-4-19-3-1-15-6-19/h1,3,5-6H,2,4H2,(H,16,17,18).
What are the key properties of 6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 291.66 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).