N-tert-butyl-3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

C13H22N4O2 — CID 136976861

IUPACN-tert-butyl-3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCCc1nc(NCCC(=O)NC(C)(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O2/c1-5-9-15-10(8-12(19)16-9)14-7-6-11(18)17-13(2,3)4/h8H,5-7H2,1-4H3,(H,17,18)(H2,14,15,16,19)
InChIKeyBPECQWJYAPZGAB-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.05
Rot. Bonds5

About N-tert-butyl-3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

N-tert-butyl-3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136976861) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-tert-butyl-3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136976861
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-tert-butyl-3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCCc1nc(NCCC(=O)NC(C)(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O2/c1-5-9-15-10(8-12(19)16-9)14-7-6-11(18)17-13(2,3)4/h8H,5-7H2,1-4H3,(H,17,18)(H2,14,15,16,19)
InChIKeyBPECQWJYAPZGAB-UHFFFAOYSA-N
XLogP1.05
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (CID 136976861) is N-tert-butyl-3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is CCc1nc(NCCC(=O)NC(C)(C)C)cc(=O)[nH]1.
What is the InChIKey of N-tert-butyl-3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is BPECQWJYAPZGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-9-15-10(8-12(19)16-9)14-7-6-11(18)17-13(2,3)4/h8H,5-7H2,1-4H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of N-tert-butyl-3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
N-tert-butyl-3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136976861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).