2-ethyl-6-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine

C12H17N5O — CID 146088274

IUPAC2-ethyl-6-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESCCC1CN(c2ncnc3[nH]ncc23)CC(C)O1
InChIInChI=1S/C12H17N5O/c1-3-9-6-17(5-8(2)18-9)12-10-4-15-16-11(10)13-7-14-12/h4,7-9H,3,5-6H2,1-2H3,(H,13,14,15,16)
InChIKeyYKKNFNOLPHTINV-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.36
Rot. Bonds2

About 2-ethyl-6-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine

2-ethyl-6-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine (PubChem CID 146088274) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-ethyl-6-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-ethyl-6-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
PubChem CID146088274
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-ethyl-6-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESCCC1CN(c2ncnc3[nH]ncc23)CC(C)O1
InChIInChI=1S/C12H17N5O/c1-3-9-6-17(5-8(2)18-9)12-10-4-15-16-11(10)13-7-14-12/h4,7-9H,3,5-6H2,1-2H3,(H,13,14,15,16)
InChIKeyYKKNFNOLPHTINV-UHFFFAOYSA-N
XLogP1.36
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol
CID 102939124
(6S)-6-methyl-8-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-oxa-8-azaspiro[3.5]nonane
CID 164643336
3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 178107069
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
CID 18008420
4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 178104944
ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 42226847
[4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102933974
(3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol
CID 134711259
4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 155975230
4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 16627028
4-(3-methylsulfanylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133395111

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 2-ethyl-6-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine (CID 146088274) is 2-ethyl-6-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-ethyl-6-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 2-ethyl-6-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine is CCC1CN(c2ncnc3[nH]ncc23)CC(C)O1.
What is the InChIKey of 2-ethyl-6-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The InChIKey is YKKNFNOLPHTINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-9-6-17(5-8(2)18-9)12-10-4-15-16-11(10)13-7-14-12/h4,7-9H,3,5-6H2,1-2H3,(H,13,14,15,16).
What are the key properties of 2-ethyl-6-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
2-ethyl-6-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine has a molecular weight of 247.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 146088274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).