N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine

C14H18FN5O — CID 128993418

IUPACN-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine
SMILESCCn1nccc1[C@@H]1OCC[C@H]1CNc1ncc(F)cn1
InChIInChI=1S/C14H18FN5O/c1-2-20-12(3-5-19-20)13-10(4-6-21-13)7-16-14-17-8-11(15)9-18-14/h3,5,8-10,13H,2,4,6-7H2,1H3,(H,16,17,18)/t10-,13+/m0/s1
InChIKeyRARGZTYZVRPFEN-GXFFZTMASA-N
MW291.33 g/mol
LogP2.02
Rot. Bonds5

About N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine

N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine (PubChem CID 128993418) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine
PubChem CID128993418
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC NameN-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine
SMILESCCn1nccc1[C@@H]1OCC[C@H]1CNc1ncc(F)cn1
InChIInChI=1S/C14H18FN5O/c1-2-20-12(3-5-19-20)13-10(4-6-21-13)7-16-14-17-8-11(15)9-18-14/h3,5,8-10,13H,2,4,6-7H2,1H3,(H,16,17,18)/t10-,13+/m0/s1
InChIKeyRARGZTYZVRPFEN-GXFFZTMASA-N
XLogP2.02
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine (CID 128993418) is N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine is CCn1nccc1[C@@H]1OCC[C@H]1CNc1ncc(F)cn1.
What is the InChIKey of N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine?
The InChIKey is RARGZTYZVRPFEN-GXFFZTMASA-N. The full InChI is InChI=1S/C14H18FN5O/c1-2-20-12(3-5-19-20)13-10(4-6-21-13)7-16-14-17-8-11(15)9-18-14/h3,5,8-10,13H,2,4,6-7H2,1H3,(H,16,17,18)/t10-,13+/m0/s1.
What are the key properties of N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine?
N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine has a molecular weight of 291.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 128993418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).