7-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine

C14H18N4OS — CID 66213064

IUPAC7-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
SMILESCCc1cc2c(NC3C(N)C4CCOC43)ncnc2s1
InChIInChI=1S/C14H18N4OS/c1-2-7-5-9-13(16-6-17-14(9)20-7)18-11-10(15)8-3-4-19-12(8)11/h5-6,8,10-12H,2-4,15H2,1H3,(H,16,17,18)
InChIKeyJRSJFKQZAVWSOC-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.78
Rot. Bonds3

About 7-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine

7-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine (PubChem CID 66213064) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 7-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine.

Molecular Properties

Compound Name7-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
PubChem CID66213064
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name7-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
SMILESCCc1cc2c(NC3C(N)C4CCOC43)ncnc2s1
InChIInChI=1S/C14H18N4OS/c1-2-7-5-9-13(16-6-17-14(9)20-7)18-11-10(15)8-3-4-19-12(8)11/h5-6,8,10-12H,2-4,15H2,1H3,(H,16,17,18)
InChIKeyJRSJFKQZAVWSOC-UHFFFAOYSA-N
XLogP1.78
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine with MolForge

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Related Compounds

N-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 11682007
2-({6-methylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide
CID 6460757
(6-Ethyl-thieno[2,3-d]pyrimidin-4-yl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 651273
(6-Ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 9549432
(5,6-Dimethyl-thieno[2,3-d]pyrimidin-4-yl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 9549588
N-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-N-(tetrahydro-2-furanylmethyl)amine
CID 3156005
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 16313869
5,6-dimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 3156004
6-ethyl-N-[oxolan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 51133916
N-[rac-(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 122564440
N-[(1S,5S,6R,7S)-6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
CID 164640356
6-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]thieno[2,3-d]pyrimidin-4-amine
CID 164642977

Frequently Asked Questions

What is the IUPAC name of 7-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The IUPAC name of 7-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine (CID 66213064) is 7-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine.
What is the SMILES notation for 7-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The canonical SMILES for 7-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine is CCc1cc2c(NC3C(N)C4CCOC43)ncnc2s1.
What is the InChIKey of 7-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The InChIKey is JRSJFKQZAVWSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-2-7-5-9-13(16-6-17-14(9)20-7)18-11-10(15)8-3-4-19-12(8)11/h5-6,8,10-12H,2-4,15H2,1H3,(H,16,17,18).
What are the key properties of 7-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
7-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine has a molecular weight of 290.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine is sourced from PubChem (CID 66213064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).