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

C15H15F2N5O — CID 135437314

IUPACN-[(E)-N-(2,4-difluorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide
SMILESCC(=O)N/C(=N/c1nc(C)cc(C)n1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H15F2N5O/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)
InChIKeyPQODLJDZJMJONR-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.61
Rot. Bonds2

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

N-[(E)-N-(2,4-difluorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide (PubChem CID 135437314) has the molecular formula C15H15F2N5O and a molecular weight of 319.32 g/mol. Its IUPAC name is N-[(E)-N-(2,4-difluorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide.

Molecular Properties

Compound NameN-[(E)-N-(2,4-difluorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide
PubChem CID135437314
Molecular FormulaC15H15F2N5O
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC NameN-[(E)-N-(2,4-difluorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide
SMILESCC(=O)N/C(=N/c1nc(C)cc(C)n1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H15F2N5O/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)
InChIKeyPQODLJDZJMJONR-UHFFFAOYSA-N
XLogP2.61
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.61
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

Pyrimethanil
CID 91650
Cyprodinil
CID 86367
Mepanipyrim
CID 86296
1-(4,6-Dimethyl-2-pyrimidinyl)-3-phenylguanidine
CID 9570316
N-(4,5-diphenylpyrimidin-2-yl)acetamide
CID 12253310
1-(4-Fluorophenyl)-3-(6-methylpyridin-2-yl)urea
CID 310683
1-(4-Chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea
CID 2306588
Urea, 1-(p-chlorophenyl)-3-(4,6-dimethyl-2-pyrimidinyl)-
CID 204267
Urea, 1-(4,6-dimethyl-2-pyrimidinyl)-3-phenyl-
CID 204268
N-(4,6-Dimethylpyrimidin-2-yl)benzene-1,4-diamine
CID 735909
N-[4-[[2-(4-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 1118298
Dimethyl[6-methyl-2-(phenylamino)pyrimidin-4-yl]amine
CID 718645

Frequently Asked Questions

What is the IUPAC name of N-[(E)-N-(2,4-difluorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide?
The IUPAC name of N-[(E)-N-(2,4-difluorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide (CID 135437314) is N-[(E)-N-(2,4-difluorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide.
What is the SMILES notation for N-[(E)-N-(2,4-difluorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide?
The canonical SMILES for N-[(E)-N-(2,4-difluorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide is CC(=O)N/C(=N/c1nc(C)cc(C)n1)Nc1ccc(F)cc1F.
What is the InChIKey of N-[(E)-N-(2,4-difluorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide?
The InChIKey is PQODLJDZJMJONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O/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-[(E)-N-(2,4-difluorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide?
N-[(E)-N-(2,4-difluorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide has a molecular weight of 319.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-N-(2,4-difluorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]acetamide is sourced from PubChem (CID 135437314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).