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

C10H15BrN4O — CID 75370271

IUPAC2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1ncc(Br)cn1
InChIInChI=1S/C10H15BrN4O/c1-10(2,3)15-8(16)6-14-9-12-4-7(11)5-13-9/h4-5H,6H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyQQEJYCQBFCLPCK-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.57
Rot. Bonds3

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

2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylacetamide (PubChem CID 75370271) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylacetamide
PubChem CID75370271
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1ncc(Br)cn1
InChIInChI=1S/C10H15BrN4O/c1-10(2,3)15-8(16)6-14-9-12-4-7(11)5-13-9/h4-5H,6H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyQQEJYCQBFCLPCK-UHFFFAOYSA-N
XLogP1.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.57
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-butylacetamide?
The IUPAC name of 2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylacetamide (CID 75370271) is 2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNc1ncc(Br)cn1.
What is the InChIKey of 2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylacetamide?
The InChIKey is QQEJYCQBFCLPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-10(2,3)15-8(16)6-14-9-12-4-7(11)5-13-9/h4-5H,6H2,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylacetamide?
2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylacetamide has a molecular weight of 287.16 g/mol, XLogP of 1.57, 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-butylacetamide is sourced from PubChem (CID 75370271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).