N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide

C11H16N4O — CID 169465561

IUPACN-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cnc(N(C)C)nc1
InChIInChI=1S/C11H16N4O/c1-9(16)12-6-4-5-10-7-13-11(14-8-10)15(2)3/h4-5,7-8H,6H2,1-3H3,(H,12,16)
InChIKeyGNUAIZQZPHLTLO-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.69
Rot. Bonds4

About N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide

N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide (PubChem CID 169465561) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
PubChem CID169465561
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cnc(N(C)C)nc1
InChIInChI=1S/C11H16N4O/c1-9(16)12-6-4-5-10-7-13-11(14-8-10)15(2)3/h4-5,7-8H,6H2,1-3H3,(H,12,16)
InChIKeyGNUAIZQZPHLTLO-UHFFFAOYSA-N
XLogP0.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465232
N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide
CID 169465474
N-[3-(5-hydroxy-2-pyridinyl)prop-2-enyl]acetamide
CID 169464931
N-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide
CID 169465102
N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide
CID 169465538
5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid
CID 169465798
N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide
CID 169466482
N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide
CID 169464909
N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide
CID 169465580
N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]acetamide
CID 169464899
N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide
CID 169464897
4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid
CID 169465521

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide (CID 169465561) is N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1cnc(N(C)C)nc1.
What is the InChIKey of N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide?
The InChIKey is GNUAIZQZPHLTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-9(16)12-6-4-5-10-7-13-11(14-8-10)15(2)3/h4-5,7-8H,6H2,1-3H3,(H,12,16).
What are the key properties of N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide?
N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide has a molecular weight of 220.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide is sourced from PubChem (CID 169465561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).