2-(methylamino)-N-(pyrimidin-5-ylmethyl)acetamide

C8H12N4O — CID 134570666

IUPAC2-(methylamino)-N-(pyrimidin-5-ylmethyl)acetamide
SMILESCNCC(=O)NCc1cncnc1
InChIInChI=1S/C8H12N4O/c1-9-5-8(13)12-4-7-2-10-6-11-3-7/h2-3,6,9H,4-5H2,1H3,(H,12,13)
InChIKeyIECPEPFINVCHGT-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.69
Rot. Bonds4

About 2-(methylamino)-N-(pyrimidin-5-ylmethyl)acetamide

2-(methylamino)-N-(pyrimidin-5-ylmethyl)acetamide (PubChem CID 134570666) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(methylamino)-N-(pyrimidin-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-(pyrimidin-5-ylmethyl)acetamide
PubChem CID134570666
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-(methylamino)-N-(pyrimidin-5-ylmethyl)acetamide
SMILESCNCC(=O)NCc1cncnc1
InChIInChI=1S/C8H12N4O/c1-9-5-8(13)12-4-7-2-10-6-11-3-7/h2-3,6,9H,4-5H2,1H3,(H,12,13)
InChIKeyIECPEPFINVCHGT-UHFFFAOYSA-N
XLogP-0.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(methylamino)-N-(pyrimidin-5-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(pyrimidin-5-ylmethyl)acetamide?
The IUPAC name of 2-(methylamino)-N-(pyrimidin-5-ylmethyl)acetamide (CID 134570666) is 2-(methylamino)-N-(pyrimidin-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(methylamino)-N-(pyrimidin-5-ylmethyl)acetamide?
The canonical SMILES for 2-(methylamino)-N-(pyrimidin-5-ylmethyl)acetamide is CNCC(=O)NCc1cncnc1.
What is the InChIKey of 2-(methylamino)-N-(pyrimidin-5-ylmethyl)acetamide?
The InChIKey is IECPEPFINVCHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-9-5-8(13)12-4-7-2-10-6-11-3-7/h2-3,6,9H,4-5H2,1H3,(H,12,13).
What are the key properties of 2-(methylamino)-N-(pyrimidin-5-ylmethyl)acetamide?
2-(methylamino)-N-(pyrimidin-5-ylmethyl)acetamide has a molecular weight of 180.21 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(pyrimidin-5-ylmethyl)acetamide is sourced from PubChem (CID 134570666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).