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

C13H16FN5O — CID 128967819

IUPACN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1Nc1ncc(F)cn1
InChIInChI=1S/C13H16FN5O/c1-2-19-5-4-15-12(19)11-10(3-6-20-11)18-13-16-7-9(14)8-17-13/h4-5,7-8,10-11H,2-3,6H2,1H3,(H,16,17,18)/t10-,11-/m0/s1
InChIKeyUDMWKLZVVCUATB-QWRGUYRKSA-N
MW277.30 g/mol
LogP1.77
Rot. Bonds4

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

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine (PubChem CID 128967819) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine
PubChem CID128967819
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1Nc1ncc(F)cn1
InChIInChI=1S/C13H16FN5O/c1-2-19-5-4-15-12(19)11-10(3-6-20-11)18-13-16-7-9(14)8-17-13/h4-5,7-8,10-11H,2-3,6H2,1H3,(H,16,17,18)/t10-,11-/m0/s1
InChIKeyUDMWKLZVVCUATB-QWRGUYRKSA-N
XLogP1.77
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide
CID 128989734
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 128977696
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-phenylmethoxypyrimidin-2-amine
CID 128967970
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 100630745
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine
CID 128977716
(2S,3S)-N-[(2-bromo-4-fluorophenyl)methyl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine
CID 128976477
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 128976336
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(thiolan-3-yl)oxolan-3-amine
CID 128966063
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[3-(4-fluorophenyl)cyclobutyl]oxan-3-amine
CID 129001362
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-sulfonamide
CID 128975406
(2S)-2-(cyclopropylmethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]propanamide
CID 129335309
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine
CID 128969421

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine (CID 128967819) is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine is CCn1ccnc1[C@H]1OCC[C@@H]1Nc1ncc(F)cn1.
What is the InChIKey of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine?
The InChIKey is UDMWKLZVVCUATB-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-2-19-5-4-15-12(19)11-10(3-6-20-11)18-13-16-7-9(14)8-17-13/h4-5,7-8,10-11H,2-3,6H2,1H3,(H,16,17,18)/t10-,11-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine?
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine has a molecular weight of 277.30 g/mol, XLogP of 1.77, 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)oxolan-3-yl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 128967819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).