N'-[6-(2-chlorophenyl)-2,4-bis(dimethylaminomethylideneamino)pteridin-7-yl]-N,N-dimethylmethanimidamide

C21H25ClN10 — CID 54555708

IUPACN'-[6-(2-chlorophenyl)-2,4-bis(dimethylaminomethylideneamino)pteridin-7-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc(/N=C/N(C)C)c2nc(-c3ccccc3Cl)c(/N=C/N(C)C)nc2n1
InChIInChI=1S/C21H25ClN10/c1-30(2)11-23-18-16(14-9-7-8-10-15(14)22)26-17-19(24-12-31(3)4)28-21(25-13-32(5)6)29-20(17)27-18/h7-13H,1-6H3/b23-11+,24-12+,25-13?
InChIKeyZNACIRHUVMULRW-OZTNBSHFSA-N
MW452.95 g/mol
LogP3.40
Rot. Bonds7

About N'-[6-(2-chlorophenyl)-2,4-bis(dimethylaminomethylideneamino)pteridin-7-yl]-N,N-dimethylmethanimidamide

N'-[6-(2-chlorophenyl)-2,4-bis(dimethylaminomethylideneamino)pteridin-7-yl]-N,N-dimethylmethanimidamide (PubChem CID 54555708) has the molecular formula C21H25ClN10 and a molecular weight of 452.95 g/mol. Its IUPAC name is N'-[6-(2-chlorophenyl)-2,4-bis(dimethylaminomethylideneamino)pteridin-7-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[6-(2-chlorophenyl)-2,4-bis(dimethylaminomethylideneamino)pteridin-7-yl]-N,N-dimethylmethanimidamide
PubChem CID54555708
Molecular FormulaC21H25ClN10
Molecular Weight452.95 g/mol
Exact Mass452.20
IUPAC NameN'-[6-(2-chlorophenyl)-2,4-bis(dimethylaminomethylideneamino)pteridin-7-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc(/N=C/N(C)C)c2nc(-c3ccccc3Cl)c(/N=C/N(C)C)nc2n1
InChIInChI=1S/C21H25ClN10/c1-30(2)11-23-18-16(14-9-7-8-10-15(14)22)26-17-19(24-12-31(3)4)28-21(25-13-32(5)6)29-20(17)27-18/h7-13H,1-6H3/b23-11+,24-12+,25-13?
InChIKeyZNACIRHUVMULRW-OZTNBSHFSA-N
XLogP3.40
TPSA98.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[6-(2-chlorophenyl)-2,4-bis(dimethylaminomethylideneamino)pteridin-7-yl]-N,N-dimethylmethanimidamide 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 N'-[6-(2-chlorophenyl)-2,4-bis(dimethylaminomethylideneamino)pteridin-7-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[6-(2-chlorophenyl)-2,4-bis(dimethylaminomethylideneamino)pteridin-7-yl]-N,N-dimethylmethanimidamide (CID 54555708) is N'-[6-(2-chlorophenyl)-2,4-bis(dimethylaminomethylideneamino)pteridin-7-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[6-(2-chlorophenyl)-2,4-bis(dimethylaminomethylideneamino)pteridin-7-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[6-(2-chlorophenyl)-2,4-bis(dimethylaminomethylideneamino)pteridin-7-yl]-N,N-dimethylmethanimidamide is CN(C)C=Nc1nc(/N=C/N(C)C)c2nc(-c3ccccc3Cl)c(/N=C/N(C)C)nc2n1.
What is the InChIKey of N'-[6-(2-chlorophenyl)-2,4-bis(dimethylaminomethylideneamino)pteridin-7-yl]-N,N-dimethylmethanimidamide?
The InChIKey is ZNACIRHUVMULRW-OZTNBSHFSA-N. The full InChI is InChI=1S/C21H25ClN10/c1-30(2)11-23-18-16(14-9-7-8-10-15(14)22)26-17-19(24-12-31(3)4)28-21(25-13-32(5)6)29-20(17)27-18/h7-13H,1-6H3/b23-11+,24-12+,25-13?.
What are the key properties of N'-[6-(2-chlorophenyl)-2,4-bis(dimethylaminomethylideneamino)pteridin-7-yl]-N,N-dimethylmethanimidamide?
N'-[6-(2-chlorophenyl)-2,4-bis(dimethylaminomethylideneamino)pteridin-7-yl]-N,N-dimethylmethanimidamide has a molecular weight of 452.95 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(2-chlorophenyl)-2,4-bis(dimethylaminomethylideneamino)pteridin-7-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 54555708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).