6-(3,4-dichlorophenyl)-N'-[methyl-(methylideneamino)amino]pyrimidine-4-carboximidamide

C13H12Cl2N6 — CID 89400250

IUPAC6-(3,4-dichlorophenyl)-N'-[methyl-(methylideneamino)amino]pyrimidine-4-carboximidamide
SMILESC=NN(C)/N=C(\N)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C13H12Cl2N6/c1-17-21(2)20-13(16)12-6-11(18-7-19-12)8-3-4-9(14)10(15)5-8/h3-7H,1H2,2H3,(H2,16,20)
InChIKeyRBVUQWVMJHEJND-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.62
Rot. Bonds4

About 6-(3,4-dichlorophenyl)-N'-[methyl-(methylideneamino)amino]pyrimidine-4-carboximidamide

6-(3,4-dichlorophenyl)-N'-[methyl-(methylideneamino)amino]pyrimidine-4-carboximidamide (PubChem CID 89400250) has the molecular formula C13H12Cl2N6 and a molecular weight of 323.19 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-N'-[methyl-(methylideneamino)amino]pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-N'-[methyl-(methylideneamino)amino]pyrimidine-4-carboximidamide
PubChem CID89400250
Molecular FormulaC13H12Cl2N6
Molecular Weight323.19 g/mol
Exact Mass322.05
IUPAC Name6-(3,4-dichlorophenyl)-N'-[methyl-(methylideneamino)amino]pyrimidine-4-carboximidamide
SMILESC=NN(C)/N=C(\N)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C13H12Cl2N6/c1-17-21(2)20-13(16)12-6-11(18-7-19-12)8-3-4-9(14)10(15)5-8/h3-7H,1H2,2H3,(H2,16,20)
InChIKeyRBVUQWVMJHEJND-UHFFFAOYSA-N
XLogP2.62
TPSA79.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(3,4-dichlorophenyl)-N'-[methyl-(methylideneamino)amino]pyrimidine-4-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

6-(3,4-dichlorophenyl)-N'-(methylamino)pyrimidine-4-carboximidamide
CID 123460331
6-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 50972207
6-[3-chloro-4-(1-methoxycyclopropyl)phenyl]-N'-diazenylpyrimidine-4-carboximidamide
CID 137127099
6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 67218380
6-[3-chloro-4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxylic acid
CID 71282739
[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 123984314
[amino-[6-[3-chloro-4-(cyclopropylamino)phenyl]pyrimidin-4-yl]methylidene]carbamic acid
CID 123243529
methyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate
CID 71282712
[amino-[6-[3-chloro-4-(3-methyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)phenyl]pyrimidin-4-yl]methylidene]carbamic acid
CID 123972289
(4-aminopiperidin-1-yl)-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]methanone
CID 71292463
(Z)-[amino-[6-[3-chloro-4-(cyclopropylmethoxy)phenyl]pyrimidin-4-yl]methylidene]carbamic acid
CID 144518969
N'-diazenyl-6-(3,4-difluorophenyl)pyrimidine-4-carboximidamide
CID 137045363

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-N'-[methyl-(methylideneamino)amino]pyrimidine-4-carboximidamide?
The IUPAC name of 6-(3,4-dichlorophenyl)-N'-[methyl-(methylideneamino)amino]pyrimidine-4-carboximidamide (CID 89400250) is 6-(3,4-dichlorophenyl)-N'-[methyl-(methylideneamino)amino]pyrimidine-4-carboximidamide.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-N'-[methyl-(methylideneamino)amino]pyrimidine-4-carboximidamide?
The canonical SMILES for 6-(3,4-dichlorophenyl)-N'-[methyl-(methylideneamino)amino]pyrimidine-4-carboximidamide is C=NN(C)/N=C(\N)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-N'-[methyl-(methylideneamino)amino]pyrimidine-4-carboximidamide?
The InChIKey is RBVUQWVMJHEJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N6/c1-17-21(2)20-13(16)12-6-11(18-7-19-12)8-3-4-9(14)10(15)5-8/h3-7H,1H2,2H3,(H2,16,20).
What are the key properties of 6-(3,4-dichlorophenyl)-N'-[methyl-(methylideneamino)amino]pyrimidine-4-carboximidamide?
6-(3,4-dichlorophenyl)-N'-[methyl-(methylideneamino)amino]pyrimidine-4-carboximidamide has a molecular weight of 323.19 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-N'-[methyl-(methylideneamino)amino]pyrimidine-4-carboximidamide is sourced from PubChem (CID 89400250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).