2-[butyl-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide

C10H14ClFN4O — CID 79081084

IUPAC2-[butyl-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(Cl)ncc1F
InChIInChI=1S/C10H14ClFN4O/c1-2-3-4-16(6-8(13)17)9-7(12)5-14-10(11)15-9/h5H,2-4,6H2,1H3,(H2,13,17)
InChIKeyYGKFKINBCXYRCQ-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.36
Rot. Bonds6

About 2-[butyl-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide

2-[butyl-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide (PubChem CID 79081084) has the molecular formula C10H14ClFN4O and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-[butyl-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[butyl-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide
PubChem CID79081084
Molecular FormulaC10H14ClFN4O
Molecular Weight260.70 g/mol
Exact Mass260.08
IUPAC Name2-[butyl-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(Cl)ncc1F
InChIInChI=1S/C10H14ClFN4O/c1-2-3-4-16(6-8(13)17)9-7(12)5-14-10(11)15-9/h5H,2-4,6H2,1H3,(H2,13,17)
InChIKeyYGKFKINBCXYRCQ-UHFFFAOYSA-N
XLogP1.36
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[butyl-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide (CID 79081084) is 2-[butyl-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[butyl-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[butyl-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide is CCCCN(CC(N)=O)c1nc(Cl)ncc1F.
What is the InChIKey of 2-[butyl-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide?
The InChIKey is YGKFKINBCXYRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN4O/c1-2-3-4-16(6-8(13)17)9-7(12)5-14-10(11)15-9/h5H,2-4,6H2,1H3,(H2,13,17).
What are the key properties of 2-[butyl-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide?
2-[butyl-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide has a molecular weight of 260.70 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 79081084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).