N-(6-bromopyrimidin-4-yl)-2-methylpropanamide

C8H10BrN3O — CID 135356719

IUPACN-(6-bromopyrimidin-4-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(Br)ncn1
InChIInChI=1S/C8H10BrN3O/c1-5(2)8(13)12-7-3-6(9)10-4-11-7/h3-5H,1-2H3,(H,10,11,12,13)
InChIKeyCZLVQQRMMRYACI-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.83
Rot. Bonds2

About N-(6-bromopyrimidin-4-yl)-2-methylpropanamide

N-(6-bromopyrimidin-4-yl)-2-methylpropanamide (PubChem CID 135356719) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is N-(6-bromopyrimidin-4-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(6-bromopyrimidin-4-yl)-2-methylpropanamide
PubChem CID135356719
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC NameN-(6-bromopyrimidin-4-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(Br)ncn1
InChIInChI=1S/C8H10BrN3O/c1-5(2)8(13)12-7-3-6(9)10-4-11-7/h3-5H,1-2H3,(H,10,11,12,13)
InChIKeyCZLVQQRMMRYACI-UHFFFAOYSA-N
XLogP1.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromopyrimidin-4-yl)-2-methylpropanamide?
The IUPAC name of N-(6-bromopyrimidin-4-yl)-2-methylpropanamide (CID 135356719) is N-(6-bromopyrimidin-4-yl)-2-methylpropanamide.
What is the SMILES notation for N-(6-bromopyrimidin-4-yl)-2-methylpropanamide?
The canonical SMILES for N-(6-bromopyrimidin-4-yl)-2-methylpropanamide is CC(C)C(=O)Nc1cc(Br)ncn1.
What is the InChIKey of N-(6-bromopyrimidin-4-yl)-2-methylpropanamide?
The InChIKey is CZLVQQRMMRYACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c1-5(2)8(13)12-7-3-6(9)10-4-11-7/h3-5H,1-2H3,(H,10,11,12,13).
What are the key properties of N-(6-bromopyrimidin-4-yl)-2-methylpropanamide?
N-(6-bromopyrimidin-4-yl)-2-methylpropanamide has a molecular weight of 244.09 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromopyrimidin-4-yl)-2-methylpropanamide is sourced from PubChem (CID 135356719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).