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

C17H20F3N7O — CID 171994408

IUPAC4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(N2CCC(Nc3nccc(N4CCOCC4)n3)C2)n1
InChIInChI=1S/C17H20F3N7O/c18-17(19,20)13-1-4-22-16(24-13)27-6-3-12(11-27)23-15-21-5-2-14(25-15)26-7-9-28-10-8-26/h1-2,4-5,12H,3,6-11H2,(H,21,23,25)
InChIKeyGXIDHKKIOWLHFT-UHFFFAOYSA-N
MW395.39 g/mol
LogP1.81
Rot. Bonds4

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

4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 171994408) has the molecular formula C17H20F3N7O and a molecular weight of 395.39 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID171994408
Molecular FormulaC17H20F3N7O
Molecular Weight395.39 g/mol
Exact Mass395.17
IUPAC Name4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(N2CCC(Nc3nccc(N4CCOCC4)n3)C2)n1
InChIInChI=1S/C17H20F3N7O/c18-17(19,20)13-1-4-22-16(24-13)27-6-3-12(11-27)23-15-21-5-2-14(25-15)26-7-9-28-10-8-26/h1-2,4-5,12H,3,6-11H2,(H,21,23,25)
InChIKeyGXIDHKKIOWLHFT-UHFFFAOYSA-N
XLogP1.81
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171996646
2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine
CID 172902096
4-morpholin-4-yl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171994884
N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171996190
4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 171340440
morpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone
CID 165434652
N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95331385
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid
CID 67365390
N-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133381110
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133438923
N-(1-cyclopentylpyrrolidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133292243
2-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 171995732

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine (CID 171994408) is 4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine is FC(F)(F)c1ccnc(N2CCC(Nc3nccc(N4CCOCC4)n3)C2)n1.
What is the InChIKey of 4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is GXIDHKKIOWLHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N7O/c18-17(19,20)13-1-4-22-16(24-13)27-6-3-12(11-27)23-15-21-5-2-14(25-15)26-7-9-28-10-8-26/h1-2,4-5,12H,3,6-11H2,(H,21,23,25).
What are the key properties of 4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine?
4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine has a molecular weight of 395.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 171994408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).