N-[[(2R,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine

C14H18FN5O — CID 154761137

IUPACN-[[(2R,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine
SMILESCCn1ccnc1[C@@H]1OCC[C@H]1CNc1ncc(F)cn1
InChIInChI=1S/C14H18FN5O/c1-2-20-5-4-16-13(20)12-10(3-6-21-12)7-17-14-18-8-11(15)9-19-14/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,17,18,19)/t10-,12+/m0/s1
InChIKeyIKGQUNUEBDSTPR-CMPLNLGQSA-N
MW291.33 g/mol
LogP2.02
Rot. Bonds5

About N-[[(2R,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine

N-[[(2R,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine (PubChem CID 154761137) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[[(2R,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(2R,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine
PubChem CID154761137
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC NameN-[[(2R,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine
SMILESCCn1ccnc1[C@@H]1OCC[C@H]1CNc1ncc(F)cn1
InChIInChI=1S/C14H18FN5O/c1-2-20-5-4-16-13(20)12-10(3-6-21-12)7-17-14-18-8-11(15)9-19-14/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,17,18,19)/t10-,12+/m0/s1
InChIKeyIKGQUNUEBDSTPR-CMPLNLGQSA-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-(1-ethylimidazol-2-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[[(2R,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine (CID 154761137) is N-[[(2R,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[[(2R,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[[(2R,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine is CCn1ccnc1[C@@H]1OCC[C@H]1CNc1ncc(F)cn1.
What is the InChIKey of N-[[(2R,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine?
The InChIKey is IKGQUNUEBDSTPR-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-2-20-5-4-16-13(20)12-10(3-6-21-12)7-17-14-18-8-11(15)9-19-14/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,17,18,19)/t10-,12+/m0/s1.
What are the key properties of N-[[(2R,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine?
N-[[(2R,3S)-2-(1-ethylimidazol-2-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-(1-ethylimidazol-2-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 154761137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).