2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine

C14H17F3N6 — CID 129479528

IUPAC2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine
SMILESNc1ccnc(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)n1
InChIInChI=1S/C14H17F3N6/c15-14(16,17)10-6-20-13(21-10)9-2-1-5-23(7-9)8-12-19-4-3-11(18)22-12/h3-4,6,9H,1-2,5,7-8H2,(H,20,21)(H2,18,19,22)/t9-/m0/s1
InChIKeySLPMLJUXDHJTHO-VIFPVBQESA-N
MW326.33 g/mol
LogP2.18
Rot. Bonds3

About 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine

2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine (PubChem CID 129479528) has the molecular formula C14H17F3N6 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine
PubChem CID129479528
Molecular FormulaC14H17F3N6
Molecular Weight326.33 g/mol
Exact Mass326.15
IUPAC Name2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine
SMILESNc1ccnc(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)n1
InChIInChI=1S/C14H17F3N6/c15-14(16,17)10-6-20-13(21-10)9-2-1-5-23(7-9)8-12-19-4-3-11(18)22-12/h3-4,6,9H,1-2,5,7-8H2,(H,20,21)(H2,18,19,22)/t9-/m0/s1
InChIKeySLPMLJUXDHJTHO-VIFPVBQESA-N
XLogP2.18
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]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

N-((1-methyl-1H-imidazol-4-yl)methyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 162640825
8-Piperidin-4-yl-9H-purine
CID 44374953
4-[4-(1H-imidazol-2-yl)-1-piperidinyl]-6-methyl-2-pyrimidinamine
CID 70768454
2-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-4-pyrimidinamine
CID 70784308
2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72119933
6-(3-{1-[3-(dimethylamino)propyl]-1H-imidazol-2-yl}piperidin-1-yl)pyrimidin-4-amine
CID 72844111
6-(3-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}-1-piperidinyl)-4-pyrimidinamine
CID 72873331
2-{4-[(5-Methyl-1H-imidazol-4-YL)methyl]piperazin-1-YL}pyrimidine
CID 30982068
1-[(4-methyl-1H-imidazol-5-yl)methyl]-8-(2-pyrimidinyl)-1,8-diazaspiro[4.5]decane
CID 56911437
1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 86803437
2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 95144057
2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine
CID 132380301

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine (CID 129479528) is 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine is Nc1ccnc(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)n1.
What is the InChIKey of 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine?
The InChIKey is SLPMLJUXDHJTHO-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17F3N6/c15-14(16,17)10-6-20-13(21-10)9-2-1-5-23(7-9)8-12-19-4-3-11(18)22-12/h3-4,6,9H,1-2,5,7-8H2,(H,20,21)(H2,18,19,22)/t9-/m0/s1.
What are the key properties of 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine?
2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine has a molecular weight of 326.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 129479528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).