2-[2-(dimethylamino)pyrimidin-5-yl]acetamide

C8H12N4O — CID 173127901

IUPAC2-[2-(dimethylamino)pyrimidin-5-yl]acetamide
SMILESCN(C)c1ncc(CC(N)=O)cn1
InChIInChI=1S/C8H12N4O/c1-12(2)8-10-4-6(5-11-8)3-7(9)13/h4-5H,3H2,1-2H3,(H2,9,13)
InChIKeyOROLHMGPYWHIHB-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.43
Rot. Bonds3

About 2-[2-(dimethylamino)pyrimidin-5-yl]acetamide

2-[2-(dimethylamino)pyrimidin-5-yl]acetamide (PubChem CID 173127901) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-[2-(dimethylamino)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)pyrimidin-5-yl]acetamide
PubChem CID173127901
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-[2-(dimethylamino)pyrimidin-5-yl]acetamide
SMILESCN(C)c1ncc(CC(N)=O)cn1
InChIInChI=1S/C8H12N4O/c1-12(2)8-10-4-6(5-11-8)3-7(9)13/h4-5H,3H2,1-2H3,(H2,9,13)
InChIKeyOROLHMGPYWHIHB-UHFFFAOYSA-N
XLogP-0.43
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-[2-(dimethylamino)pyrimidin-5-yl]acetamide (CID 173127901) is 2-[2-(dimethylamino)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-[2-(dimethylamino)pyrimidin-5-yl]acetamide is CN(C)c1ncc(CC(N)=O)cn1.
What is the InChIKey of 2-[2-(dimethylamino)pyrimidin-5-yl]acetamide?
The InChIKey is OROLHMGPYWHIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12(2)8-10-4-6(5-11-8)3-7(9)13/h4-5H,3H2,1-2H3,(H2,9,13).
What are the key properties of 2-[2-(dimethylamino)pyrimidin-5-yl]acetamide?
2-[2-(dimethylamino)pyrimidin-5-yl]acetamide has a molecular weight of 180.21 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 173127901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).