(2R)-4-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide

C23H23F2N5O3 — CID 93292146

IUPAC(2R)-4-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cc(Oc4ccc(F)cc4F)ncn3)C[C@H]2C)cc1
InChIInChI=1S/C23H23F2N5O3/c1-15-13-29(9-10-30(15)23(31)28-17-4-6-18(32-2)7-5-17)21-12-22(27-14-26-21)33-20-8-3-16(24)11-19(20)25/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H,28,31)/t15-/m1/s1
InChIKeyLLZOOZFAWPUAHX-OAHLLOKOSA-N
MW455.47 g/mol
LogP4.30
Rot. Bonds5

About (2R)-4-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide

(2R)-4-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide (PubChem CID 93292146) has the molecular formula C23H23F2N5O3 and a molecular weight of 455.47 g/mol. Its IUPAC name is (2R)-4-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-4-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
PubChem CID93292146
Molecular FormulaC23H23F2N5O3
Molecular Weight455.47 g/mol
Exact Mass455.18
IUPAC Name(2R)-4-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cc(Oc4ccc(F)cc4F)ncn3)C[C@H]2C)cc1
InChIInChI=1S/C23H23F2N5O3/c1-15-13-29(9-10-30(15)23(31)28-17-4-6-18(32-2)7-5-17)21-12-22(27-14-26-21)33-20-8-3-16(24)11-19(20)25/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H,28,31)/t15-/m1/s1
InChIKeyLLZOOZFAWPUAHX-OAHLLOKOSA-N
XLogP4.30
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-4-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide with MolForge

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Related Compounds

(2R)-4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 93292170
(2S)-4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 93292163
(2S)-N-(4-chlorophenyl)-4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide
CID 93292167
1-[(2R)-4-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylmethoxyethanone
CID 93296990
1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]butan-1-one
CID 93296512
1-[(2R)-4-[6-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-1-one
CID 93340816
N-butyl-4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide
CID 91634862
[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 83288832
cyclobutyl-[(2S)-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone
CID 93340767
[(2R)-4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-naphthalen-2-ylmethanone
CID 93296770
[(2S)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 93296936
N-ethyl-4-[6-(3-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide
CID 83282349

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of (2R)-4-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide (CID 93292146) is (2R)-4-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-4-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-4-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3cc(Oc4ccc(F)cc4F)ncn3)C[C@H]2C)cc1.
What is the InChIKey of (2R)-4-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide?
The InChIKey is LLZOOZFAWPUAHX-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23F2N5O3/c1-15-13-29(9-10-30(15)23(31)28-17-4-6-18(32-2)7-5-17)21-12-22(27-14-26-21)33-20-8-3-16(24)11-19(20)25/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H,28,31)/t15-/m1/s1.
What are the key properties of (2R)-4-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide?
(2R)-4-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 93292146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).