N-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine

C15H19F3N6O — CID 167201408

IUPACN-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(NCc2cc(COC[C@@H]3CCCN3)n[nH]2)nc1
InChIInChI=1S/C15H19F3N6O/c16-15(17,18)10-5-20-14(21-6-10)22-7-12-4-13(24-23-12)9-25-8-11-2-1-3-19-11/h4-6,11,19H,1-3,7-9H2,(H,23,24)(H,20,21,22)/t11-/m0/s1
InChIKeyKIKWZNAANYZXEJ-NSHDSACASA-N
MW356.35 g/mol
LogP2.10
Rot. Bonds7

About N-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine

N-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 167201408) has the molecular formula C15H19F3N6O and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID167201408
Molecular FormulaC15H19F3N6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC NameN-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(NCc2cc(COC[C@@H]3CCCN3)n[nH]2)nc1
InChIInChI=1S/C15H19F3N6O/c16-15(17,18)10-5-20-14(21-6-10)22-7-12-4-13(24-23-12)9-25-8-11-2-1-3-19-11/h4-6,11,19H,1-3,7-9H2,(H,23,24)(H,20,21,22)/t11-/m0/s1
InChIKeyKIKWZNAANYZXEJ-NSHDSACASA-N
XLogP2.10
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 167201408) is N-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cnc(NCc2cc(COC[C@@H]3CCCN3)n[nH]2)nc1.
What is the InChIKey of N-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KIKWZNAANYZXEJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H19F3N6O/c16-15(17,18)10-5-20-14(21-6-10)22-7-12-4-13(24-23-12)9-25-8-11-2-1-3-19-11/h4-6,11,19H,1-3,7-9H2,(H,23,24)(H,20,21,22)/t11-/m0/s1.
What are the key properties of N-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine?
N-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 356.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 167201408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).