3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide

C13H20N4O2 — CID 136914215

IUPAC3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H20N4O2/c1-8(13(19)14-2)7-17(3)10-6-11(18)16-12(15-10)9-4-5-9/h6,8-9H,4-5,7H2,1-3H3,(H,14,19)(H,15,16,18)
InChIKeyRDIOGBGLAMRAND-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.47
Rot. Bonds5

About 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide

3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 136914215) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
PubChem CID136914215
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H20N4O2/c1-8(13(19)14-2)7-17(3)10-6-11(18)16-12(15-10)9-4-5-9/h6,8-9H,4-5,7H2,1-3H3,(H,14,19)(H,15,16,18)
InChIKeyRDIOGBGLAMRAND-UHFFFAOYSA-N
XLogP0.47
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide 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 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide (CID 136914215) is 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is RDIOGBGLAMRAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8(13(19)14-2)7-17(3)10-6-11(18)16-12(15-10)9-4-5-9/h6,8-9H,4-5,7H2,1-3H3,(H,14,19)(H,15,16,18).
What are the key properties of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 264.33 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 136914215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).