N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-amine

C15H19F3N6 — CID 50952259

IUPACN-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CCc1cn[nH]c1)c1cc(C(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C15H19F3N6/c1-23(7-4-11-9-19-20-10-11)13-8-12(15(16,17)18)21-14(22-13)24-5-2-3-6-24/h8-10H,2-7H2,1H3,(H,19,20)
InChIKeyFSIJNQHFENAPTO-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.50
Rot. Bonds5

About N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 50952259) has the molecular formula C15H19F3N6 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID50952259
Molecular FormulaC15H19F3N6
Molecular Weight340.35 g/mol
Exact Mass340.16
IUPAC NameN-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CCc1cn[nH]c1)c1cc(C(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C15H19F3N6/c1-23(7-4-11-9-19-20-10-11)13-8-12(15(16,17)18)21-14(22-13)24-5-2-3-6-24/h8-10H,2-7H2,1H3,(H,19,20)
InChIKeyFSIJNQHFENAPTO-UHFFFAOYSA-N
XLogP2.50
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US9932325, Example 109
CID 69093358
4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
CID 56778066
4-N,4-N,6-trimethyl-2-N-[1-(4-methylpyrazol-1-yl)propan-2-yl]pyrimidine-2,4-diamine
CID 56778067
N,N-dimethyl-1-[2-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
CID 110117145
2-N,2-N,4-N,6-tetramethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 39782129
6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 39782311
N~6~-isopropyl-N~4~-methyl-N~4~-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4,6-triamine
CID 50952687
N,2-dimethyl-6-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 50954395
N,N-dimethyl-2-[2-(1H-pyrazol-4-yl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 71862308
1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine
CID 72868243
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine
CID 86808957
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 95350260

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 50952259) is N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-amine is CN(CCc1cn[nH]c1)c1cc(C(F)(F)F)nc(N2CCCC2)n1.
What is the InChIKey of N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FSIJNQHFENAPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6/c1-23(7-4-11-9-19-20-10-11)13-8-12(15(16,17)18)21-14(22-13)24-5-2-3-6-24/h8-10H,2-7H2,1H3,(H,19,20).
What are the key properties of N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 340.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 50952259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).