N,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide

C12H12Cl2N6O — CID 170608782

IUPACN,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide
SMILESN/N=C(\NN)c1ncc(OCc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C12H12Cl2N6O/c13-9-2-1-3-10(14)8(9)6-21-7-4-17-11(18-5-7)12(19-15)20-16/h1-5H,6,15-16H2,(H,19,20)
InChIKeyIHKSZENWORMSHW-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.45
Rot. Bonds4

About N,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide

N,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide (PubChem CID 170608782) has the molecular formula C12H12Cl2N6O and a molecular weight of 327.18 g/mol. Its IUPAC name is N,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide.

Molecular Properties

Compound NameN,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide
PubChem CID170608782
Molecular FormulaC12H12Cl2N6O
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC NameN,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide
SMILESN/N=C(\NN)c1ncc(OCc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C12H12Cl2N6O/c13-9-2-1-3-10(14)8(9)6-21-7-4-17-11(18-5-7)12(19-15)20-16/h1-5H,6,15-16H2,(H,19,20)
InChIKeyIHKSZENWORMSHW-UHFFFAOYSA-N
XLogP1.45
TPSA111.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide 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

5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine
CID 170608959
2-bromo-5-[(2,6-dichlorophenyl)methoxy]pyridine
CID 103695201
methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride
CID 141018466
[3-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1H-pyrazol-5-yl]methanol
CID 170608573
5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793988
hydron;methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;hydrochloride
CID 173217229
[5-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]methanol
CID 170608894
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892
methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
CID 22386629
N-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetamide
CID 7640056
[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 5416165

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide?
The IUPAC name of N,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide (CID 170608782) is N,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide.
What is the SMILES notation for N,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide?
The canonical SMILES for N,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide is N/N=C(\NN)c1ncc(OCc2c(Cl)cccc2Cl)cn1.
What is the InChIKey of N,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide?
The InChIKey is IHKSZENWORMSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N6O/c13-9-2-1-3-10(14)8(9)6-21-7-4-17-11(18-5-7)12(19-15)20-16/h1-5H,6,15-16H2,(H,19,20).
What are the key properties of N,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide?
N,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide has a molecular weight of 327.18 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide is sourced from PubChem (CID 170608782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).