(2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine

C12H17N5O — CID 7197181

IUPAC(2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESC[C@H]1CN(c2ncnc3c2cnn3C)C[C@H](C)O1
InChIInChI=1S/C12H17N5O/c1-8-5-17(6-9(2)18-8)12-10-4-15-16(3)11(10)13-7-14-12/h4,7-9H,5-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyMWALIVJWDPISJE-IUCAKERBSA-N
MW247.30 g/mol
LogP0.98
Rot. Bonds1

About (2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine

(2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine (PubChem CID 7197181) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
PubChem CID7197181
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name(2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESC[C@H]1CN(c2ncnc3c2cnn3C)C[C@H](C)O1
InChIInChI=1S/C12H17N5O/c1-8-5-17(6-9(2)18-8)12-10-4-15-16(3)11(10)13-7-14-12/h4,7-9H,5-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyMWALIVJWDPISJE-IUCAKERBSA-N
XLogP0.98
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,6R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 866543
(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 31271906
(2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 124679286
(2S,6R)-4-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 866557
(2S,6R)-4-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
CID 56899248
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
(2S,6S)-4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 7205606
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163355013
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897
7-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepine
CID 167902903
(2R,6S)-2,6-dimethyl-4-[1-methyl-6-(3-methylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 166397967

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The IUPAC name of (2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine (CID 7197181) is (2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for (2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine is C[C@H]1CN(c2ncnc3c2cnn3C)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The InChIKey is MWALIVJWDPISJE-IUCAKERBSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-5-17(6-9(2)18-8)12-10-4-15-16(3)11(10)13-7-14-12/h4,7-9H,5-6H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
(2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine has a molecular weight of 247.30 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 7197181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).