6-(3,4-dichlorophenyl)-N'-(methylamino)pyrimidine-4-carboximidamide

C12H11Cl2N5 — CID 123460331

IUPAC6-(3,4-dichlorophenyl)-N'-(methylamino)pyrimidine-4-carboximidamide
SMILESCNN=C(N)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C12H11Cl2N5/c1-16-19-12(15)11-5-10(17-6-18-11)7-2-3-8(13)9(14)4-7/h2-6,16H,1H3,(H2,15,19)
InChIKeySHTMLDWOMAJFDY-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.29
Rot. Bonds3

About 6-(3,4-dichlorophenyl)-N'-(methylamino)pyrimidine-4-carboximidamide

6-(3,4-dichlorophenyl)-N'-(methylamino)pyrimidine-4-carboximidamide (PubChem CID 123460331) has the molecular formula C12H11Cl2N5 and a molecular weight of 296.16 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-N'-(methylamino)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-N'-(methylamino)pyrimidine-4-carboximidamide
PubChem CID123460331
Molecular FormulaC12H11Cl2N5
Molecular Weight296.16 g/mol
Exact Mass295.04
IUPAC Name6-(3,4-dichlorophenyl)-N'-(methylamino)pyrimidine-4-carboximidamide
SMILESCNN=C(N)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C12H11Cl2N5/c1-16-19-12(15)11-5-10(17-6-18-11)7-2-3-8(13)9(14)4-7/h2-6,16H,1H3,(H2,15,19)
InChIKeySHTMLDWOMAJFDY-UHFFFAOYSA-N
XLogP2.29
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

6-(3,4-dichlorophenyl)-N'-[methyl-(methylideneamino)amino]pyrimidine-4-carboximidamide
CID 89400250
6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 67218380
6-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 50972207
[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
methyl 6-(3-chloro-4-methylphenyl)pyrimidine-4-carboxylate
CID 67218962
[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 123984314
6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 71506432
6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 87314477
[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
6-[3-chloro-4-(1-methoxycyclopropyl)phenyl]-N'-diazenylpyrimidine-4-carboximidamide
CID 137127099
[amino-[6-(8-chloroquinoxalin-6-yl)pyrimidin-4-yl]methylidene]carbamic acid
CID 123681123

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-N'-(methylamino)pyrimidine-4-carboximidamide?
The IUPAC name of 6-(3,4-dichlorophenyl)-N'-(methylamino)pyrimidine-4-carboximidamide (CID 123460331) is 6-(3,4-dichlorophenyl)-N'-(methylamino)pyrimidine-4-carboximidamide.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-N'-(methylamino)pyrimidine-4-carboximidamide?
The canonical SMILES for 6-(3,4-dichlorophenyl)-N'-(methylamino)pyrimidine-4-carboximidamide is CNN=C(N)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-N'-(methylamino)pyrimidine-4-carboximidamide?
The InChIKey is SHTMLDWOMAJFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N5/c1-16-19-12(15)11-5-10(17-6-18-11)7-2-3-8(13)9(14)4-7/h2-6,16H,1H3,(H2,15,19).
What are the key properties of 6-(3,4-dichlorophenyl)-N'-(methylamino)pyrimidine-4-carboximidamide?
6-(3,4-dichlorophenyl)-N'-(methylamino)pyrimidine-4-carboximidamide has a molecular weight of 296.16 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-N'-(methylamino)pyrimidine-4-carboximidamide is sourced from PubChem (CID 123460331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).