N-[(Z)-N-(2,4-dichlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide

C15H15Cl2N5O — CID 135457737

IUPACN-[(Z)-N-(2,4-dichlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide
SMILESCC(=O)N/C(=N\c1nc(C)cc(C)n1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N5O/c1-8-6-9(2)19-14(18-8)22-15(20-10(3)23)21-13-5-4-11(16)7-12(13)17/h4-7H,1-3H3,(H2,18,19,20,21,22,23)
InChIKeyMWFDJTXYEXDALQ-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.64
Rot. Bonds2

About N-[(Z)-N-(2,4-dichlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide

N-[(Z)-N-(2,4-dichlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide (PubChem CID 135457737) has the molecular formula C15H15Cl2N5O and a molecular weight of 352.23 g/mol. Its IUPAC name is N-[(Z)-N-(2,4-dichlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-N-(2,4-dichlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide
PubChem CID135457737
Molecular FormulaC15H15Cl2N5O
Molecular Weight352.23 g/mol
Exact Mass351.07
IUPAC NameN-[(Z)-N-(2,4-dichlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide
SMILESCC(=O)N/C(=N\c1nc(C)cc(C)n1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N5O/c1-8-6-9(2)19-14(18-8)22-15(20-10(3)23)21-13-5-4-11(16)7-12(13)17/h4-7H,1-3H3,(H2,18,19,20,21,22,23)
InChIKeyMWFDJTXYEXDALQ-UHFFFAOYSA-N
XLogP3.64
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.64
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-N-(2,4-dichlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide?
The IUPAC name of N-[(Z)-N-(2,4-dichlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide (CID 135457737) is N-[(Z)-N-(2,4-dichlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide.
What is the SMILES notation for N-[(Z)-N-(2,4-dichlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide?
The canonical SMILES for N-[(Z)-N-(2,4-dichlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide is CC(=O)N/C(=N\c1nc(C)cc(C)n1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(Z)-N-(2,4-dichlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide?
The InChIKey is MWFDJTXYEXDALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5O/c1-8-6-9(2)19-14(18-8)22-15(20-10(3)23)21-13-5-4-11(16)7-12(13)17/h4-7H,1-3H3,(H2,18,19,20,21,22,23).
What are the key properties of N-[(Z)-N-(2,4-dichlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide?
N-[(Z)-N-(2,4-dichlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide has a molecular weight of 352.23 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-N-(2,4-dichlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide is sourced from PubChem (CID 135457737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).