N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrol-3-yl]methyl]cyclopropanamine

C19H16F4N4O — CID 118958758

IUPACN-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrol-3-yl]methyl]cyclopropanamine
SMILESFc1cccc(Oc2cc(C(F)(F)F)nc(-n3ccc(CNC4CC4)c3)n2)c1
InChIInChI=1S/C19H16F4N4O/c20-13-2-1-3-15(8-13)28-17-9-16(19(21,22)23)25-18(26-17)27-7-6-12(11-27)10-24-14-4-5-14/h1-3,6-9,11,14,24H,4-5,10H2
InChIKeyGCPGZDSFNGKMKE-UHFFFAOYSA-N
MW392.36 g/mol
LogP4.47
Rot. Bonds6

About N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrol-3-yl]methyl]cyclopropanamine

N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrol-3-yl]methyl]cyclopropanamine (PubChem CID 118958758) has the molecular formula C19H16F4N4O and a molecular weight of 392.36 g/mol. Its IUPAC name is N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrol-3-yl]methyl]cyclopropanamine
PubChem CID118958758
Molecular FormulaC19H16F4N4O
Molecular Weight392.36 g/mol
Exact Mass392.13
IUPAC NameN-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrol-3-yl]methyl]cyclopropanamine
SMILESFc1cccc(Oc2cc(C(F)(F)F)nc(-n3ccc(CNC4CC4)c3)n2)c1
InChIInChI=1S/C19H16F4N4O/c20-13-2-1-3-15(8-13)28-17-9-16(19(21,22)23)25-18(26-17)27-7-6-12(11-27)10-24-14-4-5-14/h1-3,6-9,11,14,24H,4-5,10H2
InChIKeyGCPGZDSFNGKMKE-UHFFFAOYSA-N
XLogP4.47
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 175935651
N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 118958659
3-[(cyclopropylamino)methyl]-1-[4-(3-methylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 148997205
3-[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]propanamide
CID 175935652
N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405167
3-[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]-2,2-dimethylpropanamide
CID 175935653
N-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105391271
6-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-2,3,5,7-tetrahydro-1H-pyrrolo[3,4-b]pyridin-4-one
CID 130402896
N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283337
N-[[6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine
CID 43476727
N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62459565
9-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;hydrochloride
CID 118960498

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrol-3-yl]methyl]cyclopropanamine (CID 118958758) is N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrol-3-yl]methyl]cyclopropanamine is Fc1cccc(Oc2cc(C(F)(F)F)nc(-n3ccc(CNC4CC4)c3)n2)c1.
What is the InChIKey of N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrol-3-yl]methyl]cyclopropanamine?
The InChIKey is GCPGZDSFNGKMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O/c20-13-2-1-3-15(8-13)28-17-9-16(19(21,22)23)25-18(26-17)27-7-6-12(11-27)10-24-14-4-5-14/h1-3,6-9,11,14,24H,4-5,10H2.
What are the key properties of N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrol-3-yl]methyl]cyclopropanamine?
N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrol-3-yl]methyl]cyclopropanamine has a molecular weight of 392.36 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 118958758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).