N-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide

C11H14N4O — CID 79287533

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C11H14N4O/c1-4-5-12-7-10(16)15-11-13-8(2)6-9(3)14-11/h1,6,12H,5,7H2,2-3H3,(H,13,14,15,16)
InChIKeyOTCKQCRAGJRDCQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.25
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide

N-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79287533) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide
PubChem CID79287533
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C11H14N4O/c1-4-5-12-7-10(16)15-11-13-8(2)6-9(3)14-11/h1,6,12H,5,7H2,2-3H3,(H,13,14,15,16)
InChIKeyOTCKQCRAGJRDCQ-UHFFFAOYSA-N
XLogP0.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide (CID 79287533) is N-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1nc(C)cc(C)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is OTCKQCRAGJRDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-4-5-12-7-10(16)15-11-13-8(2)6-9(3)14-11/h1,6,12H,5,7H2,2-3H3,(H,13,14,15,16).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 218.26 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79287533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).