N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-phenylmethoxypyrimidin-2-amine

C20H23N5O2 — CID 128967970

IUPACN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-phenylmethoxypyrimidin-2-amine
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1Nc1nccc(OCc2ccccc2)n1
InChIInChI=1S/C20H23N5O2/c1-2-25-12-11-21-19(25)18-16(9-13-26-18)23-20-22-10-8-17(24-20)27-14-15-6-4-3-5-7-15/h3-8,10-12,16,18H,2,9,13-14H2,1H3,(H,22,23,24)/t16-,18-/m0/s1
InChIKeyQASQNNLMBVYMGC-WMZOPIPTSA-N
MW365.44 g/mol
LogP3.21
Rot. Bonds7

About N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-phenylmethoxypyrimidin-2-amine

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-phenylmethoxypyrimidin-2-amine (PubChem CID 128967970) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-phenylmethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-phenylmethoxypyrimidin-2-amine
PubChem CID128967970
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-phenylmethoxypyrimidin-2-amine
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1Nc1nccc(OCc2ccccc2)n1
InChIInChI=1S/C20H23N5O2/c1-2-25-12-11-21-19(25)18-16(9-13-26-18)23-20-22-10-8-17(24-20)27-14-15-6-4-3-5-7-15/h3-8,10-12,16,18H,2,9,13-14H2,1H3,(H,22,23,24)/t16-,18-/m0/s1
InChIKeyQASQNNLMBVYMGC-WMZOPIPTSA-N
XLogP3.21
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
CID 133474099
4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine
CID 167925059
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine
CID 128967819
2-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine
CID 128993386
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine
CID 128977716
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 128977696
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]oxan-3-amine
CID 129400637
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 128986111
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]oxan-3-amine
CID 129400645
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 126805972
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 100630745
5-ethyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]furan-2-carboxamide
CID 128986202

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-phenylmethoxypyrimidin-2-amine?
The IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-phenylmethoxypyrimidin-2-amine (CID 128967970) is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-phenylmethoxypyrimidin-2-amine.
What is the SMILES notation for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-phenylmethoxypyrimidin-2-amine?
The canonical SMILES for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-phenylmethoxypyrimidin-2-amine is CCn1ccnc1[C@H]1OCC[C@@H]1Nc1nccc(OCc2ccccc2)n1.
What is the InChIKey of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-phenylmethoxypyrimidin-2-amine?
The InChIKey is QASQNNLMBVYMGC-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-2-25-12-11-21-19(25)18-16(9-13-26-18)23-20-22-10-8-17(24-20)27-14-15-6-4-3-5-7-15/h3-8,10-12,16,18H,2,9,13-14H2,1H3,(H,22,23,24)/t16-,18-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-phenylmethoxypyrimidin-2-amine?
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-phenylmethoxypyrimidin-2-amine has a molecular weight of 365.44 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-phenylmethoxypyrimidin-2-amine is sourced from PubChem (CID 128967970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).