N-[3-[(1,2-dimethylpyrimidin-4-ylidene)amino]propyl]acetamide

C11H18N4O — CID 123566933

IUPACN-[3-[(1,2-dimethylpyrimidin-4-ylidene)amino]propyl]acetamide
SMILESCC(=O)NCCC/N=c1\ccn(C)c(C)n1
InChIInChI=1S/C11H18N4O/c1-9-14-11(5-8-15(9)3)13-7-4-6-12-10(2)16/h5,8H,4,6-7H2,1-3H3,(H,12,16)/b13-11+
InChIKeyXKKDSIILIYWTLR-ACCUITESSA-N
MW222.29 g/mol
LogP0.16
Rot. Bonds4

About N-[3-[(1,2-dimethylpyrimidin-4-ylidene)amino]propyl]acetamide

N-[3-[(1,2-dimethylpyrimidin-4-ylidene)amino]propyl]acetamide (PubChem CID 123566933) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[3-[(1,2-dimethylpyrimidin-4-ylidene)amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1,2-dimethylpyrimidin-4-ylidene)amino]propyl]acetamide
PubChem CID123566933
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[3-[(1,2-dimethylpyrimidin-4-ylidene)amino]propyl]acetamide
SMILESCC(=O)NCCC/N=c1\ccn(C)c(C)n1
InChIInChI=1S/C11H18N4O/c1-9-14-11(5-8-15(9)3)13-7-4-6-12-10(2)16/h5,8H,4,6-7H2,1-3H3,(H,12,16)/b13-11+
InChIKeyXKKDSIILIYWTLR-ACCUITESSA-N
XLogP0.16
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,2-dimethylpyrimidin-4-ylidene)amino]propyl]acetamide?
The IUPAC name of N-[3-[(1,2-dimethylpyrimidin-4-ylidene)amino]propyl]acetamide (CID 123566933) is N-[3-[(1,2-dimethylpyrimidin-4-ylidene)amino]propyl]acetamide.
What is the SMILES notation for N-[3-[(1,2-dimethylpyrimidin-4-ylidene)amino]propyl]acetamide?
The canonical SMILES for N-[3-[(1,2-dimethylpyrimidin-4-ylidene)amino]propyl]acetamide is CC(=O)NCCC/N=c1\ccn(C)c(C)n1.
What is the InChIKey of N-[3-[(1,2-dimethylpyrimidin-4-ylidene)amino]propyl]acetamide?
The InChIKey is XKKDSIILIYWTLR-ACCUITESSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9-14-11(5-8-15(9)3)13-7-4-6-12-10(2)16/h5,8H,4,6-7H2,1-3H3,(H,12,16)/b13-11+.
What are the key properties of N-[3-[(1,2-dimethylpyrimidin-4-ylidene)amino]propyl]acetamide?
N-[3-[(1,2-dimethylpyrimidin-4-ylidene)amino]propyl]acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,2-dimethylpyrimidin-4-ylidene)amino]propyl]acetamide is sourced from PubChem (CID 123566933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).