N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

C17H17F3N6 — CID 133444857

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1nn(C)cc1CNc1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C17H17F3N6/c1-3-12-11(10-26(2)25-12)9-22-15-8-14(17(18,19)20)23-16(24-15)13-6-4-5-7-21-13/h4-8,10H,3,9H2,1-2H3,(H,22,23,24)
InChIKeyFDOCSYYLWMTCNP-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.47
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133444857) has the molecular formula C17H17F3N6 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133444857
Molecular FormulaC17H17F3N6
Molecular Weight362.36 g/mol
Exact Mass362.15
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1nn(C)cc1CNc1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C17H17F3N6/c1-3-12-11(10-26(2)25-12)9-22-15-8-14(17(18,19)20)23-16(24-15)13-6-4-5-7-21-13/h4-8,10H,3,9H2,1-2H3,(H,22,23,24)
InChIKeyFDOCSYYLWMTCNP-UHFFFAOYSA-N
XLogP3.47
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(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

2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562843
N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475716
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133380062
2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 133472167
2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 95323276
N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475718
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133399512
6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112549981
2-tert-butyl-4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 115991808
N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 2730488
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
CID 115990474
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 112672293

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133444857) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is CCc1nn(C)cc1CNc1cc(C(F)(F)F)nc(-c2ccccn2)n1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FDOCSYYLWMTCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6/c1-3-12-11(10-26(2)25-12)9-22-15-8-14(17(18,19)20)23-16(24-15)13-6-4-5-7-21-13/h4-8,10H,3,9H2,1-2H3,(H,22,23,24).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 362.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133444857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).