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

C14H18FN5O — CID 129006914

IUPACN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-fluoropyrimidin-2-amine
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1Nc1ncc(F)cn1
InChIInChI=1S/C14H18FN5O/c1-2-20-6-5-16-13(20)12-11(4-3-7-21-12)19-14-17-8-10(15)9-18-14/h5-6,8-9,11-12H,2-4,7H2,1H3,(H,17,18,19)/t11-,12-/m0/s1
InChIKeyWWWKNZHPQARMMH-RYUDHWBXSA-N
MW291.33 g/mol
LogP2.16
Rot. Bonds4

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

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-fluoropyrimidin-2-amine (PubChem CID 129006914) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-fluoropyrimidin-2-amine
PubChem CID129006914
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-fluoropyrimidin-2-amine
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1Nc1ncc(F)cn1
InChIInChI=1S/C14H18FN5O/c1-2-20-6-5-16-13(20)12-11(4-3-7-21-12)19-14-17-8-10(15)9-18-14/h5-6,8-9,11-12H,2-4,7H2,1H3,(H,17,18,19)/t11-,12-/m0/s1
InChIKeyWWWKNZHPQARMMH-RYUDHWBXSA-N
XLogP2.16
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-fluoropyrimidin-2-amine (CID 129006914) is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-fluoropyrimidin-2-amine is CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1ncc(F)cn1.
What is the InChIKey of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-fluoropyrimidin-2-amine?
The InChIKey is WWWKNZHPQARMMH-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-2-20-6-5-16-13(20)12-11(4-3-7-21-12)19-14-17-8-10(15)9-18-14/h5-6,8-9,11-12H,2-4,7H2,1H3,(H,17,18,19)/t11-,12-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-fluoropyrimidin-2-amine?
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-fluoropyrimidin-2-amine has a molecular weight of 291.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 129006914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).