N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine

C13H19F3N4 — CID 72868639

IUPACN,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H19F3N4/c1-3-19(4-2)10-6-8-20(9-10)12-17-7-5-11(18-12)13(14,15)16/h5,7,10H,3-4,6,8-9H2,1-2H3
InChIKeyNYJFVPNFBFSJRJ-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.42
Rot. Bonds4

About N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine

N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine (PubChem CID 72868639) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
PubChem CID72868639
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC NameN,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H19F3N4/c1-3-19(4-2)10-6-8-20(9-10)12-17-7-5-11(18-12)13(14,15)16/h5,7,10H,3-4,6,8-9H2,1-2H3
InChIKeyNYJFVPNFBFSJRJ-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 133292848
2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 133271291
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 26986145
N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
CID 48736158
(3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 133110613
methyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylate
CID 112731125
(3S)-3-methylsulfanyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]azepane
CID 124590786
ethyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate
CID 60725743
2-ethyl-5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3,4-thiadiazole
CID 163343747
4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80827694
2-[(3S)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 143256089
1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine
CID 103757127

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine (CID 72868639) is N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine is CCN(CC)C1CCN(c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine?
The InChIKey is NYJFVPNFBFSJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-3-19(4-2)10-6-8-20(9-10)12-17-7-5-11(18-12)13(14,15)16/h5,7,10H,3-4,6,8-9H2,1-2H3.
What are the key properties of N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine?
N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine has a molecular weight of 288.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 72868639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).