N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]acetamide

C15H17N5O — CID 135641854

IUPACN-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]acetamide
SMILESCC(=O)N/C(=N/c1nc(C)cc(C)n1)Nc1ccccc1
InChIInChI=1S/C15H17N5O/c1-10-9-11(2)17-14(16-10)20-15(18-12(3)21)19-13-7-5-4-6-8-13/h4-9H,1-3H3,(H2,16,17,18,19,20,21)
InChIKeyQPKCCCGTOSJYNJ-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.33
Rot. Bonds2

About N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]acetamide

N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]acetamide (PubChem CID 135641854) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]acetamide.

Molecular Properties

Compound NameN-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]acetamide
PubChem CID135641854
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]acetamide
SMILESCC(=O)N/C(=N/c1nc(C)cc(C)n1)Nc1ccccc1
InChIInChI=1S/C15H17N5O/c1-10-9-11(2)17-14(16-10)20-15(18-12(3)21)19-13-7-5-4-6-8-13/h4-9H,1-3H3,(H2,16,17,18,19,20,21)
InChIKeyQPKCCCGTOSJYNJ-UHFFFAOYSA-N
XLogP2.33
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.33
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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Related Compounds

N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]-2,2-dimethylpropanamide
CID 135437322
N-[N-(3-chlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide
CID 135426548
N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]carbamimidoyl]acetamide
CID 135461570
N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]-4-fluorobenzamide
CID 135437318
N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]phenothiazine-10-carboxamide
CID 135544715
1-(2,4-dichlorophenyl)-3-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]urea
CID 135643746
N-[N-(3,4-dimethylphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]benzamide
CID 135492102
N-[(E)-N-(3,4-dichlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]benzamide
CID 135516412
N-(N'-methyl-N-phenylcarbamimidoyl)acetamide
CID 57075096
N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)carbamimidoyl]-2,2,2-trifluoroacetamide
CID 135414561
1-(4-chlorophenyl)-3-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-quinolin-3-ylcarbamimidoyl]urea
CID 135609969
(2S)-N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)carbamimidoyl]-2-phenylbutanamide
CID 135960927

Frequently Asked Questions

What is the IUPAC name of N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]acetamide?
The IUPAC name of N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]acetamide (CID 135641854) is N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]acetamide.
What is the SMILES notation for N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]acetamide?
The canonical SMILES for N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]acetamide is CC(=O)N/C(=N/c1nc(C)cc(C)n1)Nc1ccccc1.
What is the InChIKey of N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]acetamide?
The InChIKey is QPKCCCGTOSJYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10-9-11(2)17-14(16-10)20-15(18-12(3)21)19-13-7-5-4-6-8-13/h4-9H,1-3H3,(H2,16,17,18,19,20,21).
What are the key properties of N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]acetamide?
N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]acetamide has a molecular weight of 283.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]acetamide is sourced from PubChem (CID 135641854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).