5-[7-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine

C35H35FN8O3 — CID 67386401

IUPAC5-[7-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccc(F)nc3)cn2)cc1
InChIInChI=1S/C35H35FN8O3/c1-45-28-8-3-24(4-9-28)22-43(23-25-5-10-29(46-2)11-6-25)34-38-19-26(20-39-34)32-30-13-14-44(27-7-12-31(36)37-21-27)33(30)41-35(40-32)42-15-17-47-18-16-42/h3-12,19-21H,13-18,22-23H2,1-2H3
InChIKeyQQYJULIMHIAYKA-UHFFFAOYSA-N
MW634.72 g/mol
LogP5.22
Rot. Bonds10

About 5-[7-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine

5-[7-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 67386401) has the molecular formula C35H35FN8O3 and a molecular weight of 634.72 g/mol. Its IUPAC name is 5-[7-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID67386401
Molecular FormulaC35H35FN8O3
Molecular Weight634.72 g/mol
Exact Mass634.28
IUPAC Name5-[7-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccc(F)nc3)cn2)cc1
InChIInChI=1S/C35H35FN8O3/c1-45-28-8-3-24(4-9-28)22-43(23-25-5-10-29(46-2)11-6-25)34-38-19-26(20-39-34)32-30-13-14-44(27-7-12-31(36)37-21-27)33(30)41-35(40-32)42-15-17-47-18-16-42/h3-12,19-21H,13-18,22-23H2,1-2H3
InChIKeyQQYJULIMHIAYKA-UHFFFAOYSA-N
XLogP5.22
TPSA101.86 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500634.72
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[7-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[7-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-[7-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine (CID 67386401) is 5-[7-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[7-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[7-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccc(F)nc3)cn2)cc1.
What is the InChIKey of 5-[7-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is QQYJULIMHIAYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35FN8O3/c1-45-28-8-3-24(4-9-28)22-43(23-25-5-10-29(46-2)11-6-25)34-38-19-26(20-39-34)32-30-13-14-44(27-7-12-31(36)37-21-27)33(30)41-35(40-32)42-15-17-47-18-16-42/h3-12,19-21H,13-18,22-23H2,1-2H3.
What are the key properties of 5-[7-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
5-[7-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine has a molecular weight of 634.72 g/mol, XLogP of 5.22, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 67386401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).