N-but-3-yn-2-yl-5-fluoropyrimidin-2-amine

C8H8FN3 — CID 114382966

IUPACN-but-3-yn-2-yl-5-fluoropyrimidin-2-amine
SMILESC#CC(C)Nc1ncc(F)cn1
InChIInChI=1S/C8H8FN3/c1-3-6(2)12-8-10-4-7(9)5-11-8/h1,4-6H,2H3,(H,10,11,12)
InChIKeySXNIAYVICJAWHV-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.05
Rot. Bonds2

About N-but-3-yn-2-yl-5-fluoropyrimidin-2-amine

N-but-3-yn-2-yl-5-fluoropyrimidin-2-amine (PubChem CID 114382966) has the molecular formula C8H8FN3 and a molecular weight of 165.17 g/mol. Its IUPAC name is N-but-3-yn-2-yl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-but-3-yn-2-yl-5-fluoropyrimidin-2-amine
PubChem CID114382966
Molecular FormulaC8H8FN3
Molecular Weight165.17 g/mol
Exact Mass165.07
IUPAC NameN-but-3-yn-2-yl-5-fluoropyrimidin-2-amine
SMILESC#CC(C)Nc1ncc(F)cn1
InChIInChI=1S/C8H8FN3/c1-3-6(2)12-8-10-4-7(9)5-11-8/h1,4-6H,2H3,(H,10,11,12)
InChIKeySXNIAYVICJAWHV-UHFFFAOYSA-N
XLogP1.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-but-3-yn-2-ylpyrimidin-2-amine
CID 114382924
5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine
CID 130713087
N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine
CID 115750251
(2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol
CID 130680062
2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide
CID 115749975
5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine
CID 115750151
2-N-(5-fluoropyrimidin-2-yl)-4-methylpentane-1,2-diamine
CID 104606344
5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine
CID 103826213
2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 104606185
5-fluoro-N-octan-2-ylpyrimidin-2-amine
CID 115750005
5-fluoro-N-hexan-3-ylpyrimidin-2-amine
CID 115750039
N-but-3-yn-2-yl-2,5-difluoro-4-methylaniline
CID 103585508

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-5-fluoropyrimidin-2-amine?
The IUPAC name of N-but-3-yn-2-yl-5-fluoropyrimidin-2-amine (CID 114382966) is N-but-3-yn-2-yl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-but-3-yn-2-yl-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-but-3-yn-2-yl-5-fluoropyrimidin-2-amine is C#CC(C)Nc1ncc(F)cn1.
What is the InChIKey of N-but-3-yn-2-yl-5-fluoropyrimidin-2-amine?
The InChIKey is SXNIAYVICJAWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3/c1-3-6(2)12-8-10-4-7(9)5-11-8/h1,4-6H,2H3,(H,10,11,12).
What are the key properties of N-but-3-yn-2-yl-5-fluoropyrimidin-2-amine?
N-but-3-yn-2-yl-5-fluoropyrimidin-2-amine has a molecular weight of 165.17 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 114382966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).