N-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide

C10H16N4O — CID 62326409

IUPACN-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
SMILESCNC(=O)CCNCc1ccnc(C)n1
InChIInChI=1S/C10H16N4O/c1-8-13-6-3-9(14-8)7-12-5-4-10(15)11-2/h3,6,12H,4-5,7H2,1-2H3,(H,11,15)
InChIKeyZXGLCJXXNKKAMQ-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.01
Rot. Bonds5

About N-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide

N-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide (PubChem CID 62326409) has the molecular formula C10H16N4O and a molecular weight of 208.27 g/mol. Its IUPAC name is N-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
PubChem CID62326409
Molecular FormulaC10H16N4O
Molecular Weight208.27 g/mol
Exact Mass208.13
IUPAC NameN-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
SMILESCNC(=O)CCNCc1ccnc(C)n1
InChIInChI=1S/C10H16N4O/c1-8-13-6-3-9(14-8)7-12-5-4-10(15)11-2/h3,6,12H,4-5,7H2,1-2H3,(H,11,15)
InChIKeyZXGLCJXXNKKAMQ-UHFFFAOYSA-N
XLogP0.01
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.01
H-Bond Donors ≤ 52
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-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide?
The IUPAC name of N-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide (CID 62326409) is N-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide.
What is the SMILES notation for N-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide?
The canonical SMILES for N-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide is CNC(=O)CCNCc1ccnc(C)n1.
What is the InChIKey of N-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide?
The InChIKey is ZXGLCJXXNKKAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8-13-6-3-9(14-8)7-12-5-4-10(15)11-2/h3,6,12H,4-5,7H2,1-2H3,(H,11,15).
What are the key properties of N-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide?
N-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide has a molecular weight of 208.27 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide is sourced from PubChem (CID 62326409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).