1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethanone

C26H26F2N8O3 — CID 59628486

IUPAC1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethanone
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2ccn3C(=O)Cc2c(F)cc(N3CCOCC3)cc2F)cn1
InChIInChI=1S/C26H26F2N8O3/c27-20-11-17(34-3-7-38-8-4-34)12-21(28)19(20)13-22(37)36-2-1-18-23(16-14-30-25(29)31-15-16)32-26(33-24(18)36)35-5-9-39-10-6-35/h1-2,11-12,14-15H,3-10,13H2,(H2,29,30,31)
InChIKeyISBCABNKIFOZIX-UHFFFAOYSA-N
MW536.54 g/mol
LogP2.30
Rot. Bonds5

About 1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethanone

1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethanone (PubChem CID 59628486) has the molecular formula C26H26F2N8O3 and a molecular weight of 536.54 g/mol. Its IUPAC name is 1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethanone
PubChem CID59628486
Molecular FormulaC26H26F2N8O3
Molecular Weight536.54 g/mol
Exact Mass536.21
IUPAC Name1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethanone
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2ccn3C(=O)Cc2c(F)cc(N3CCOCC3)cc2F)cn1
InChIInChI=1S/C26H26F2N8O3/c27-20-11-17(34-3-7-38-8-4-34)12-21(28)19(20)13-22(37)36-2-1-18-23(16-14-30-25(29)31-15-16)32-26(33-24(18)36)35-5-9-39-10-6-35/h1-2,11-12,14-15H,3-10,13H2,(H2,29,30,31)
InChIKeyISBCABNKIFOZIX-UHFFFAOYSA-N
XLogP2.30
TPSA124.52 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.54
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-(Dimethylamino)ethyl)-N-methyl-4-(((4-(4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)-7H-pyrrolo(2,3-d)pyrimidin-2-yl)phenyl)carbamoyl)amino)benzamide
CID 44599690
Gsk2656157
CID 53469059
Pyrazolo pyrimidine, 7
CID 44232914
1-{4-[7-(2,2,2-trifluoroethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenyl}-3-pyridin-4-ylurea
CID 44599203
N-[2-(Dimethylamino)ethyl]-4-({[4-(7-ethyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]carbamoyl}amino)benzamide
CID 44600010
1-[4-(7-Ethyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]-3-[4-(piperazin-1-ylcarbonyl)phenyl]urea
CID 44600166
N-[2-(Dimethylamino)ethyl]-4-[({4-[4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenyl}carbamoyl)amino]benzamide
CID 44600649
1-[4-(4-Morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea
CID 44600806
1-{4-[7-(2,2-dimethoxyethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenyl}-3-pyridin-4-ylurea
CID 46206784
5-(4-fluoro-1-{[6-(trifluoromethyl)-2-pyridinyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 53469060
1-[5-(4-Amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-[6-(trifluoromethyl)pyridin-2-yl]ethanone
CID 66823478
7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide
CID 118366956

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethanone?
The IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethanone (CID 59628486) is 1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethanone.
What is the SMILES notation for 1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethanone?
The canonical SMILES for 1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethanone is Nc1ncc(-c2nc(N3CCOCC3)nc3c2ccn3C(=O)Cc2c(F)cc(N3CCOCC3)cc2F)cn1.
What is the InChIKey of 1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethanone?
The InChIKey is ISBCABNKIFOZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N8O3/c27-20-11-17(34-3-7-38-8-4-34)12-21(28)19(20)13-22(37)36-2-1-18-23(16-14-30-25(29)31-15-16)32-26(33-24(18)36)35-5-9-39-10-6-35/h1-2,11-12,14-15H,3-10,13H2,(H2,29,30,31).
What are the key properties of 1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethanone?
1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethanone has a molecular weight of 536.54 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethanone is sourced from PubChem (CID 59628486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).