N-(2,5-difluorophenyl)-5-methanimidoyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine

C17H19F2N5O — CID 142990335

IUPACN-(2,5-difluorophenyl)-5-methanimidoyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine
SMILES[H]/N=C/c1c(Nc2cc(F)ccc2F)ncnc1OC1CCN(C)CC1
InChIInChI=1S/C17H19F2N5O/c1-24-6-4-12(5-7-24)25-17-13(9-20)16(21-10-22-17)23-15-8-11(18)2-3-14(15)19/h2-3,8-10,12,20H,4-7H2,1H3,(H,21,22,23)/b20-9+
InChIKeyPCHHPTOGJSXWPF-AWQFTUOYSA-N
MW347.37 g/mol
LogP2.97
Rot. Bonds5

About N-(2,5-difluorophenyl)-5-methanimidoyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine

N-(2,5-difluorophenyl)-5-methanimidoyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine (PubChem CID 142990335) has the molecular formula C17H19F2N5O and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-5-methanimidoyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-5-methanimidoyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine
PubChem CID142990335
Molecular FormulaC17H19F2N5O
Molecular Weight347.37 g/mol
Exact Mass347.16
IUPAC NameN-(2,5-difluorophenyl)-5-methanimidoyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine
SMILES[H]/N=C/c1c(Nc2cc(F)ccc2F)ncnc1OC1CCN(C)CC1
InChIInChI=1S/C17H19F2N5O/c1-24-6-4-12(5-7-24)25-17-13(9-20)16(21-10-22-17)23-15-8-11(18)2-3-14(15)19/h2-3,8-10,12,20H,4-7H2,1H3,(H,21,22,23)/b20-9+
InChIKeyPCHHPTOGJSXWPF-AWQFTUOYSA-N
XLogP2.97
TPSA74.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-(2-fluoro-4-methylphenyl)-5-methanimidoylpyrimidin-4-amine;sulfur dioxide
CID 161116858
N-(2-fluoro-4-methylphenyl)-5-methanimidoyl-6-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yloxy)pyrimidin-4-amine
CID 58338105
tert-butyl 3-[6-(2-fluoro-4-methylsulfonylanilino)-5-methanimidoylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 90377128
4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138304
4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine
CID 19152457
[5-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]hydrazine
CID 80920309
N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80920264
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(2,5-difluorophenyl)pyrimidine-4,5-diamine
CID 19153183
4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80748963
5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine
CID 80873812
[4-[6-(2,5-difluoroanilino)pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 69159661
N-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 137351770

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-5-methanimidoyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine?
The IUPAC name of N-(2,5-difluorophenyl)-5-methanimidoyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine (CID 142990335) is N-(2,5-difluorophenyl)-5-methanimidoyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine.
What is the SMILES notation for N-(2,5-difluorophenyl)-5-methanimidoyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine?
The canonical SMILES for N-(2,5-difluorophenyl)-5-methanimidoyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine is [H]/N=C/c1c(Nc2cc(F)ccc2F)ncnc1OC1CCN(C)CC1.
What is the InChIKey of N-(2,5-difluorophenyl)-5-methanimidoyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine?
The InChIKey is PCHHPTOGJSXWPF-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H19F2N5O/c1-24-6-4-12(5-7-24)25-17-13(9-20)16(21-10-22-17)23-15-8-11(18)2-3-14(15)19/h2-3,8-10,12,20H,4-7H2,1H3,(H,21,22,23)/b20-9+.
What are the key properties of N-(2,5-difluorophenyl)-5-methanimidoyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine?
N-(2,5-difluorophenyl)-5-methanimidoyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine has a molecular weight of 347.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-5-methanimidoyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine is sourced from PubChem (CID 142990335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).