N-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C12H14F3N5 — CID 56865738

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(NCCc2cnc[nH]2)n1
InChIInChI=1S/C12H14F3N5/c13-12(14,15)4-1-9-2-5-17-11(20-9)18-6-3-10-7-16-8-19-10/h2,5,7-8H,1,3-4,6H2,(H,16,19)(H,17,18,20)
InChIKeyJPFFTOXRJKURIH-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.35
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56865738) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56865738
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(NCCc2cnc[nH]2)n1
InChIInChI=1S/C12H14F3N5/c13-12(14,15)4-1-9-2-5-17-11(20-9)18-6-3-10-7-16-8-19-10/h2,5,7-8H,1,3-4,6H2,(H,16,19)(H,17,18,20)
InChIKeyJPFFTOXRJKURIH-UHFFFAOYSA-N
XLogP2.35
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-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

N-(1H-imidazol-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56881227
N-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638009
N-[2-(1H-imidazol-5-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 10083717
2-N-(2,2-dimethylpropyl)-4-N-[3-(1H-imidazol-5-yl)propyl]pyrimidine-2,4-diamine
CID 155534519
5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 135117540
4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
CID 83059991
N-[2-(1H-imidazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine
CID 65232549
4-[1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol
CID 56864205
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 95561128
2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875539
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56866225
(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-4-yl]acetonitrile
CID 23589672

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56865738) is N-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is FC(F)(F)CCc1ccnc(NCCc2cnc[nH]2)n1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is JPFFTOXRJKURIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c13-12(14,15)4-1-9-2-5-17-11(20-9)18-6-3-10-7-16-8-19-10/h2,5,7-8H,1,3-4,6H2,(H,16,19)(H,17,18,20).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 285.27 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56865738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).