5-chloro-4-N-[2-[2-[[5-chloro-2-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrimidine-2,4-diamine;dimethylphosphane

C34H29Cl2N14OP — CID 156501770

IUPAC5-chloro-4-N-[2-[2-[[5-chloro-2-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrimidine-2,4-diamine;dimethylphosphane
SMILESCPC.Clc1cnc(Nc2ncnn3cccc23)nc1Nc1ccccc1Oc1ccccc1Nc1nc(Nc2ncnn3cccc23)ncc1Cl
InChIInChI=1S/C32H22Cl2N14O.C2H7P/c33-19-15-35-31(45-29-23-9-5-13-47(23)39-17-37-29)43-27(19)41-21-7-1-3-11-25(21)49-26-12-4-2-8-22(26)42-28-20(34)16-36-32(44-28)46-30-24-10-6-14-48(24)40-18-38-30;1-3-2/h1-18H,(H2,35,37,39,41,43,45)(H2,36,38,40,42,44,46);3H,1-2H3
InChIKeyOYCWVFVMDBICFV-UHFFFAOYSA-N
MW751.58 g/mol
LogP8.35
Rot. Bonds10

About 5-chloro-4-N-[2-[2-[[5-chloro-2-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrimidine-2,4-diamine;dimethylphosphane

5-chloro-4-N-[2-[2-[[5-chloro-2-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrimidine-2,4-diamine;dimethylphosphane (PubChem CID 156501770) has the molecular formula C34H29Cl2N14OP and a molecular weight of 751.58 g/mol. Its IUPAC name is 5-chloro-4-N-[2-[2-[[5-chloro-2-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrimidine-2,4-diamine;dimethylphosphane.

Molecular Properties

Compound Name5-chloro-4-N-[2-[2-[[5-chloro-2-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrimidine-2,4-diamine;dimethylphosphane
PubChem CID156501770
Molecular FormulaC34H29Cl2N14OP
Molecular Weight751.58 g/mol
Exact Mass750.18
IUPAC Name5-chloro-4-N-[2-[2-[[5-chloro-2-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrimidine-2,4-diamine;dimethylphosphane
SMILESCPC.Clc1cnc(Nc2ncnn3cccc23)nc1Nc1ccccc1Oc1ccccc1Nc1nc(Nc2ncnn3cccc23)ncc1Cl
InChIInChI=1S/C32H22Cl2N14O.C2H7P/c33-19-15-35-31(45-29-23-9-5-13-47(23)39-17-37-29)43-27(19)41-21-7-1-3-11-25(21)49-26-12-4-2-8-22(26)42-28-20(34)16-36-32(44-28)46-30-24-10-6-14-48(24)40-18-38-30;1-3-2/h1-18H,(H2,35,37,39,41,43,45)(H2,36,38,40,42,44,46);3H,1-2H3
InChIKeyOYCWVFVMDBICFV-UHFFFAOYSA-N
XLogP8.35
TPSA169.29 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500751.58
LogP ≤ 58.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5-chloro-4-N-[2-[2-[[5-chloro-2-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrimidine-2,4-diamine;dimethylphosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[2-[2-[[5-chloro-2-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrimidine-2,4-diamine;dimethylphosphane?
The IUPAC name of 5-chloro-4-N-[2-[2-[[5-chloro-2-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrimidine-2,4-diamine;dimethylphosphane (CID 156501770) is 5-chloro-4-N-[2-[2-[[5-chloro-2-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrimidine-2,4-diamine;dimethylphosphane.
What is the SMILES notation for 5-chloro-4-N-[2-[2-[[5-chloro-2-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrimidine-2,4-diamine;dimethylphosphane?
The canonical SMILES for 5-chloro-4-N-[2-[2-[[5-chloro-2-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrimidine-2,4-diamine;dimethylphosphane is CPC.Clc1cnc(Nc2ncnn3cccc23)nc1Nc1ccccc1Oc1ccccc1Nc1nc(Nc2ncnn3cccc23)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-[2-[2-[[5-chloro-2-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrimidine-2,4-diamine;dimethylphosphane?
The InChIKey is OYCWVFVMDBICFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22Cl2N14O.C2H7P/c33-19-15-35-31(45-29-23-9-5-13-47(23)39-17-37-29)43-27(19)41-21-7-1-3-11-25(21)49-26-12-4-2-8-22(26)42-28-20(34)16-36-32(44-28)46-30-24-10-6-14-48(24)40-18-38-30;1-3-2/h1-18H,(H2,35,37,39,41,43,45)(H2,36,38,40,42,44,46);3H,1-2H3.
What are the key properties of 5-chloro-4-N-[2-[2-[[5-chloro-2-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrimidine-2,4-diamine;dimethylphosphane?
5-chloro-4-N-[2-[2-[[5-chloro-2-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrimidine-2,4-diamine;dimethylphosphane has a molecular weight of 751.58 g/mol, XLogP of 8.35, 10 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[2-[2-[[5-chloro-2-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrimidine-2,4-diamine;dimethylphosphane is sourced from PubChem (CID 156501770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).