N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine

C18H23N5OS — CID 129006854

IUPACN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1Nc1nc(C)nc2scc(C)c12
InChIInChI=1S/C18H23N5OS/c1-4-23-8-7-19-17(23)15-13(6-5-9-24-15)22-16-14-11(2)10-25-18(14)21-12(3)20-16/h7-8,10,13,15H,4-6,9H2,1-3H3,(H,20,21,22)/t13-,15-/m0/s1
InChIKeyQNDAZURXUVLPIZ-ZFWWWQNUSA-N
MW357.48 g/mol
LogP3.86
Rot. Bonds4

About N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 129006854) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID129006854
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1Nc1nc(C)nc2scc(C)c12
InChIInChI=1S/C18H23N5OS/c1-4-23-8-7-19-17(23)15-13(6-5-9-24-15)22-16-14-11(2)10-25-18(14)21-12(3)20-16/h7-8,10,13,15H,4-6,9H2,1-3H3,(H,20,21,22)/t13-,15-/m0/s1
InChIKeyQNDAZURXUVLPIZ-ZFWWWQNUSA-N
XLogP3.86
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine
CID 128993767
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 128976628
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]-5-fluoropyrimidin-2-amine
CID 128967819
4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide
CID 136588223
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine
CID 128967905
cis-(1S,3R)-3-[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066905
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 100630745
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 128976336
N-cyclopentyl-6-[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]amino]pyridazine-3-carboxamide
CID 154736600
5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide
CID 127967879
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine
CID 128977716

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 129006854) is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine is CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1nc(C)nc2scc(C)c12.
What is the InChIKey of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QNDAZURXUVLPIZ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-4-23-8-7-19-17(23)15-13(6-5-9-24-15)22-16-14-11(2)10-25-18(14)21-12(3)20-16/h7-8,10,13,15H,4-6,9H2,1-3H3,(H,20,21,22)/t13-,15-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 357.48 g/mol, XLogP of 3.86, 4 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)oxan-3-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 129006854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).