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

C13H20N4O2 — CID 136843236

IUPAC3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H20N4O2/c1-13(2,12(19)14-3)7-15-9-6-10(18)17-11(16-9)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,14,19)(H2,15,16,17,18)
InChIKeySTEJUTJMEMNMDL-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.83
Rot. Bonds5

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

3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 136843236) 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)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID136843236
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H20N4O2/c1-13(2,12(19)14-3)7-15-9-6-10(18)17-11(16-9)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,14,19)(H2,15,16,17,18)
InChIKeySTEJUTJMEMNMDL-UHFFFAOYSA-N
XLogP0.83
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (CID 136843236) is 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is STEJUTJMEMNMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,12(19)14-3)7-15-9-6-10(18)17-11(16-9)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,14,19)(H2,15,16,17,18).
What are the key properties of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 264.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 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)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 136843236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).