N-[(2R)-butan-2-yl]-5-fluoropyrimidin-2-amine

C8H12FN3 — CID 167134970

IUPACN-[(2R)-butan-2-yl]-5-fluoropyrimidin-2-amine
SMILESCC[C@@H](C)Nc1ncc(F)cn1
InChIInChI=1S/C8H12FN3/c1-3-6(2)12-8-10-4-7(9)5-11-8/h4-6H,3H2,1-2H3,(H,10,11,12)/t6-/m1/s1
InChIKeyYAEKTQVHBYHOKI-ZCFIWIBFSA-N
MW169.20 g/mol
LogP1.83
Rot. Bonds3

About N-[(2R)-butan-2-yl]-5-fluoropyrimidin-2-amine

N-[(2R)-butan-2-yl]-5-fluoropyrimidin-2-amine (PubChem CID 167134970) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-5-fluoropyrimidin-2-amine
PubChem CID167134970
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC NameN-[(2R)-butan-2-yl]-5-fluoropyrimidin-2-amine
SMILESCC[C@@H](C)Nc1ncc(F)cn1
InChIInChI=1S/C8H12FN3/c1-3-6(2)12-8-10-4-7(9)5-11-8/h4-6H,3H2,1-2H3,(H,10,11,12)/t6-/m1/s1
InChIKeyYAEKTQVHBYHOKI-ZCFIWIBFSA-N
XLogP1.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
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-[(2R)-butan-2-yl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[(2R)-butan-2-yl]-5-fluoropyrimidin-2-amine (CID 167134970) is N-[(2R)-butan-2-yl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[(2R)-butan-2-yl]-5-fluoropyrimidin-2-amine is CC[C@@H](C)Nc1ncc(F)cn1.
What is the InChIKey of N-[(2R)-butan-2-yl]-5-fluoropyrimidin-2-amine?
The InChIKey is YAEKTQVHBYHOKI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12FN3/c1-3-6(2)12-8-10-4-7(9)5-11-8/h4-6H,3H2,1-2H3,(H,10,11,12)/t6-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-5-fluoropyrimidin-2-amine?
N-[(2R)-butan-2-yl]-5-fluoropyrimidin-2-amine has a molecular weight of 169.20 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 167134970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).