[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]methanimine

C19H19F3N4O — CID 123643874

IUPAC[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]methanimine
SMILES[H]/N=C(/c1ccc(F)c(OC2(C)CC2)c1)c1cc(N2CCC(F)(F)C2)ncn1
InChIInChI=1S/C19H19F3N4O/c1-18(4-5-18)27-15-8-12(2-3-13(15)20)17(23)14-9-16(25-11-24-14)26-7-6-19(21,22)10-26/h2-3,8-9,11,23H,4-7,10H2,1H3/b23-17-
InChIKeyAFIAHFJEKWYQKN-QJOMJCCJSA-N
MW376.38 g/mol
LogP3.81
Rot. Bonds5

About [6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]methanimine

[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]methanimine (PubChem CID 123643874) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is [6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]methanimine.

Molecular Properties

Compound Name[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]methanimine
PubChem CID123643874
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]methanimine
SMILES[H]/N=C(/c1ccc(F)c(OC2(C)CC2)c1)c1cc(N2CCC(F)(F)C2)ncn1
InChIInChI=1S/C19H19F3N4O/c1-18(4-5-18)27-15-8-12(2-3-13(15)20)17(23)14-9-16(25-11-24-14)26-7-6-19(21,22)10-26/h2-3,8-9,11,23H,4-7,10H2,1H3/b23-17-
InChIKeyAFIAHFJEKWYQKN-QJOMJCCJSA-N
XLogP3.81
TPSA62.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438
N-(1-(4-(4-fluorophenoxy)phenyl)propyl)-6-methylpyrimidin-4-amine
CID 16076208
4-Pyrimidinamine, N-[1-[4-(4-fluorophenoxy)phenyl]propyl]-6-propyl-
CID 16076209
(16E)-23-fluoro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
CID 16739835
4-(3-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25131229
(2S)-1-[2-fluoro-4-(2-propan-2-ylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine
CID 135390126
4-(4-Fluorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine
CID 2767762
4-(2-Methoxyphenyl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine
CID 2988903
N-benzyl-6-(3-methoxyphenyl)pyrimidin-4-amine
CID 3235349
4-(3-methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 3238820
1-[4-(4-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane
CID 3240205

Frequently Asked Questions

What is the IUPAC name of [6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]methanimine?
The IUPAC name of [6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]methanimine (CID 123643874) is [6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]methanimine.
What is the SMILES notation for [6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]methanimine?
The canonical SMILES for [6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]methanimine is [H]/N=C(/c1ccc(F)c(OC2(C)CC2)c1)c1cc(N2CCC(F)(F)C2)ncn1.
What is the InChIKey of [6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]methanimine?
The InChIKey is AFIAHFJEKWYQKN-QJOMJCCJSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-18(4-5-18)27-15-8-12(2-3-13(15)20)17(23)14-9-16(25-11-24-14)26-7-6-19(21,22)10-26/h2-3,8-9,11,23H,4-7,10H2,1H3/b23-17-.
What are the key properties of [6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]methanimine?
[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]methanimine has a molecular weight of 376.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]methanimine is sourced from PubChem (CID 123643874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).