2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide

C11H17BrN4O — CID 112690234

IUPAC2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide
SMILESCC(Nc1ncc(Br)cn1)C(=O)NC(C)(C)C
InChIInChI=1S/C11H17BrN4O/c1-7(9(17)16-11(2,3)4)15-10-13-5-8(12)6-14-10/h5-7H,1-4H3,(H,16,17)(H,13,14,15)
InChIKeyUHUVUPCOPRKEKT-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.95
Rot. Bonds3

About 2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide

2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide (PubChem CID 112690234) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide
PubChem CID112690234
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide
SMILESCC(Nc1ncc(Br)cn1)C(=O)NC(C)(C)C
InChIInChI=1S/C11H17BrN4O/c1-7(9(17)16-11(2,3)4)15-10-13-5-8(12)6-14-10/h5-7H,1-4H3,(H,16,17)(H,13,14,15)
InChIKeyUHUVUPCOPRKEKT-UHFFFAOYSA-N
XLogP1.95
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide (CID 112690234) is 2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide is CC(Nc1ncc(Br)cn1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide?
The InChIKey is UHUVUPCOPRKEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-7(9(17)16-11(2,3)4)15-10-13-5-8(12)6-14-10/h5-7H,1-4H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide?
2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide has a molecular weight of 301.19 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide is sourced from PubChem (CID 112690234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).