N-[4-[(5-bromopyrimidin-2-yl)amino]-1-methylpyrazol-3-yl]acetamide

C10H11BrN6O — CID 126505396

IUPACN-[4-[(5-bromopyrimidin-2-yl)amino]-1-methylpyrazol-3-yl]acetamide
SMILESCC(=O)Nc1nn(C)cc1Nc1ncc(Br)cn1
InChIInChI=1S/C10H11BrN6O/c1-6(18)14-9-8(5-17(2)16-9)15-10-12-3-7(11)4-13-10/h3-5H,1-2H3,(H,12,13,15)(H,14,16,18)
InChIKeyVYQZCKYHPYZJCF-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.67
Rot. Bonds3

About N-[4-[(5-bromopyrimidin-2-yl)amino]-1-methylpyrazol-3-yl]acetamide

N-[4-[(5-bromopyrimidin-2-yl)amino]-1-methylpyrazol-3-yl]acetamide (PubChem CID 126505396) has the molecular formula C10H11BrN6O and a molecular weight of 311.14 g/mol. Its IUPAC name is N-[4-[(5-bromopyrimidin-2-yl)amino]-1-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-bromopyrimidin-2-yl)amino]-1-methylpyrazol-3-yl]acetamide
PubChem CID126505396
Molecular FormulaC10H11BrN6O
Molecular Weight311.14 g/mol
Exact Mass310.02
IUPAC NameN-[4-[(5-bromopyrimidin-2-yl)amino]-1-methylpyrazol-3-yl]acetamide
SMILESCC(=O)Nc1nn(C)cc1Nc1ncc(Br)cn1
InChIInChI=1S/C10H11BrN6O/c1-6(18)14-9-8(5-17(2)16-9)15-10-12-3-7(11)4-13-10/h3-5H,1-2H3,(H,12,13,15)(H,14,16,18)
InChIKeyVYQZCKYHPYZJCF-UHFFFAOYSA-N
XLogP1.67
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-bromopyrimidin-2-yl)amino]-1-methylpyrazol-3-yl]acetamide?
The IUPAC name of N-[4-[(5-bromopyrimidin-2-yl)amino]-1-methylpyrazol-3-yl]acetamide (CID 126505396) is N-[4-[(5-bromopyrimidin-2-yl)amino]-1-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for N-[4-[(5-bromopyrimidin-2-yl)amino]-1-methylpyrazol-3-yl]acetamide?
The canonical SMILES for N-[4-[(5-bromopyrimidin-2-yl)amino]-1-methylpyrazol-3-yl]acetamide is CC(=O)Nc1nn(C)cc1Nc1ncc(Br)cn1.
What is the InChIKey of N-[4-[(5-bromopyrimidin-2-yl)amino]-1-methylpyrazol-3-yl]acetamide?
The InChIKey is VYQZCKYHPYZJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN6O/c1-6(18)14-9-8(5-17(2)16-9)15-10-12-3-7(11)4-13-10/h3-5H,1-2H3,(H,12,13,15)(H,14,16,18).
What are the key properties of N-[4-[(5-bromopyrimidin-2-yl)amino]-1-methylpyrazol-3-yl]acetamide?
N-[4-[(5-bromopyrimidin-2-yl)amino]-1-methylpyrazol-3-yl]acetamide has a molecular weight of 311.14 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-bromopyrimidin-2-yl)amino]-1-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 126505396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).