N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]propan-2-amine

C9H14FN3 — CID 89274418

IUPACN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]propan-2-amine
SMILESCC(C)N[C@@H](C)c1ncc(F)cn1
InChIInChI=1S/C9H14FN3/c1-6(2)13-7(3)9-11-4-8(10)5-12-9/h4-7,13H,1-3H3/t7-/m0/s1
InChIKeySTICHBFOMOCEBW-ZETCQYMHSA-N
MW183.23 g/mol
LogP1.67
Rot. Bonds3

About N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]propan-2-amine

N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]propan-2-amine (PubChem CID 89274418) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]propan-2-amine
PubChem CID89274418
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC NameN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]propan-2-amine
SMILESCC(C)N[C@@H](C)c1ncc(F)cn1
InChIInChI=1S/C9H14FN3/c1-6(2)13-7(3)9-11-4-8(10)5-12-9/h4-7,13H,1-3H3/t7-/m0/s1
InChIKeySTICHBFOMOCEBW-ZETCQYMHSA-N
XLogP1.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]propan-2-amine (CID 89274418) is N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]propan-2-amine is CC(C)N[C@@H](C)c1ncc(F)cn1.
What is the InChIKey of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]propan-2-amine?
The InChIKey is STICHBFOMOCEBW-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14FN3/c1-6(2)13-7(3)9-11-4-8(10)5-12-9/h4-7,13H,1-3H3/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]propan-2-amine?
N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]propan-2-amine has a molecular weight of 183.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 89274418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).