6-ethyl-4-[6-[(1-methylpyrazol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]thieno[2,3-d]pyrimidine

C18H22N6S — CID 159295114

IUPAC6-ethyl-4-[6-[(1-methylpyrazol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CC4(CN(Cc5ccn(C)n5)C4)C3)ncnc2s1
InChIInChI=1S/C18H22N6S/c1-3-14-6-15-16(19-12-20-17(15)25-14)24-10-18(11-24)8-23(9-18)7-13-4-5-22(2)21-13/h4-6,12H,3,7-11H2,1-2H3
InChIKeyLAPRHZJMUVNATC-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.31
Rot. Bonds4

About 6-ethyl-4-[6-[(1-methylpyrazol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]thieno[2,3-d]pyrimidine

6-ethyl-4-[6-[(1-methylpyrazol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]thieno[2,3-d]pyrimidine (PubChem CID 159295114) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is 6-ethyl-4-[6-[(1-methylpyrazol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-[6-[(1-methylpyrazol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]thieno[2,3-d]pyrimidine
PubChem CID159295114
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC Name6-ethyl-4-[6-[(1-methylpyrazol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CC4(CN(Cc5ccn(C)n5)C4)C3)ncnc2s1
InChIInChI=1S/C18H22N6S/c1-3-14-6-15-16(19-12-20-17(15)25-14)24-10-18(11-24)8-23(9-18)7-13-4-5-22(2)21-13/h4-6,12H,3,7-11H2,1-2H3
InChIKeyLAPRHZJMUVNATC-UHFFFAOYSA-N
XLogP2.31
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 160621827
6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine
CID 160653277
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine
CID 164965316
[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 171328039
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-phenyl-2-azaspiro[3.4]octan-6-amine;molecular hydrogen
CID 164965315
2-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658055
4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 127470253
4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
6-ethyl-4-imidazol-1-ylthieno[2,3-d]pyrimidine
CID 47021451
6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 962678
[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782229
6-ethyl-4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine
CID 154583376

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[6-[(1-methylpyrazol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-4-[6-[(1-methylpyrazol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]thieno[2,3-d]pyrimidine (CID 159295114) is 6-ethyl-4-[6-[(1-methylpyrazol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-[6-[(1-methylpyrazol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-[6-[(1-methylpyrazol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]thieno[2,3-d]pyrimidine is CCc1cc2c(N3CC4(CN(Cc5ccn(C)n5)C4)C3)ncnc2s1.
What is the InChIKey of 6-ethyl-4-[6-[(1-methylpyrazol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]thieno[2,3-d]pyrimidine?
The InChIKey is LAPRHZJMUVNATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c1-3-14-6-15-16(19-12-20-17(15)25-14)24-10-18(11-24)8-23(9-18)7-13-4-5-22(2)21-13/h4-6,12H,3,7-11H2,1-2H3.
What are the key properties of 6-ethyl-4-[6-[(1-methylpyrazol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]thieno[2,3-d]pyrimidine?
6-ethyl-4-[6-[(1-methylpyrazol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]thieno[2,3-d]pyrimidine has a molecular weight of 354.48 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[6-[(1-methylpyrazol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 159295114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).