2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

C19H21F3N4O — CID 133297396

IUPAC2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cc(N2CCOCC2)ccc1CNc1ccnc(C2CC2)n1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)16-11-15(26-7-9-27-10-8-26)4-3-14(16)12-24-17-5-6-23-18(25-17)13-1-2-13/h3-6,11,13H,1-2,7-10,12H2,(H,23,24,25)
InChIKeyKQKKLJYGMQYUIC-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.82
Rot. Bonds5

About 2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 133297396) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID133297396
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cc(N2CCOCC2)ccc1CNc1ccnc(C2CC2)n1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)16-11-15(26-7-9-27-10-8-26)4-3-14(16)12-24-17-5-6-23-18(25-17)13-1-2-13/h3-6,11,13H,1-2,7-10,12H2,(H,23,24,25)
InChIKeyKQKKLJYGMQYUIC-UHFFFAOYSA-N
XLogP3.82
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

[1-[6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133297397
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133482167
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 51118166
2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine
CID 154582588
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine
CID 111524254
4-[3-[(2-cyclopropylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 172902660
2-methyl-1-(2-methylpropyl)-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine
CID 111180323
2-methyl-1-(2-methylcyclopropyl)-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111961550
1-[(2S)-butan-2-yl]-2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine
CID 52512397
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 138994426
1-(cyclopropylmethyl)-3-ethyl-2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111868353
N-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133385182

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (CID 133297396) is 2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1ccnc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is KQKKLJYGMQYUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c20-19(21,22)16-11-15(26-7-9-27-10-8-26)4-3-14(16)12-24-17-5-6-23-18(25-17)13-1-2-13/h3-6,11,13H,1-2,7-10,12H2,(H,23,24,25).
What are the key properties of 2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 378.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133297396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).