N-[(1S)-1-cyclopropylethyl]-5-fluoropyrimidin-2-amine

C9H12FN3 — CID 126790267

IUPACN-[(1S)-1-cyclopropylethyl]-5-fluoropyrimidin-2-amine
SMILESC[C@H](Nc1ncc(F)cn1)C1CC1
InChIInChI=1S/C9H12FN3/c1-6(7-2-3-7)13-9-11-4-8(10)5-12-9/h4-7H,2-3H2,1H3,(H,11,12,13)/t6-/m0/s1
InChIKeyGHGDLBOCDBHEIO-LURJTMIESA-N
MW181.21 g/mol
LogP1.83
Rot. Bonds3

About N-[(1S)-1-cyclopropylethyl]-5-fluoropyrimidin-2-amine

N-[(1S)-1-cyclopropylethyl]-5-fluoropyrimidin-2-amine (PubChem CID 126790267) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-5-fluoropyrimidin-2-amine
PubChem CID126790267
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC NameN-[(1S)-1-cyclopropylethyl]-5-fluoropyrimidin-2-amine
SMILESC[C@H](Nc1ncc(F)cn1)C1CC1
InChIInChI=1S/C9H12FN3/c1-6(7-2-3-7)13-9-11-4-8(10)5-12-9/h4-7H,2-3H2,1H3,(H,11,12,13)/t6-/m0/s1
InChIKeyGHGDLBOCDBHEIO-LURJTMIESA-N
XLogP1.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
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-[(1S)-1-cyclopropylethyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-5-fluoropyrimidin-2-amine (CID 126790267) is N-[(1S)-1-cyclopropylethyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-5-fluoropyrimidin-2-amine is C[C@H](Nc1ncc(F)cn1)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-5-fluoropyrimidin-2-amine?
The InChIKey is GHGDLBOCDBHEIO-LURJTMIESA-N. The full InChI is InChI=1S/C9H12FN3/c1-6(7-2-3-7)13-9-11-4-8(10)5-12-9/h4-7H,2-3H2,1H3,(H,11,12,13)/t6-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-5-fluoropyrimidin-2-amine?
N-[(1S)-1-cyclopropylethyl]-5-fluoropyrimidin-2-amine has a molecular weight of 181.21 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-[(1S)-1-cyclopropylethyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 126790267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).