(2S,6R)-4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine

C14H21N5O2 — CID 56918254

IUPAC(2S,6R)-4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
SMILESCOCc1nc(N2C[C@@H](C)O[C@@H](C)C2)c2cnn(C)c2n1
InChIInChI=1S/C14H21N5O2/c1-9-6-19(7-10(2)21-9)14-11-5-15-18(3)13(11)16-12(17-14)8-20-4/h5,9-10H,6-8H2,1-4H3/t9-,10+
InChIKeyHXHZNVPDYVCJHY-AOOOYVTPSA-N
MW291.36 g/mol
LogP1.12
Rot. Bonds3

About (2S,6R)-4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine

(2S,6R)-4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 56918254) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is (2S,6R)-4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
PubChem CID56918254
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name(2S,6R)-4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
SMILESCOCc1nc(N2C[C@@H](C)O[C@@H](C)C2)c2cnn(C)c2n1
InChIInChI=1S/C14H21N5O2/c1-9-6-19(7-10(2)21-9)14-11-5-15-18(3)13(11)16-12(17-14)8-20-4/h5,9-10H,6-8H2,1-4H3/t9-,10+
InChIKeyHXHZNVPDYVCJHY-AOOOYVTPSA-N
XLogP1.12
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S,6R)-4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine (CID 56918254) is (2S,6R)-4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine is COCc1nc(N2C[C@@H](C)O[C@@H](C)C2)c2cnn(C)c2n1.
What is the InChIKey of (2S,6R)-4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is HXHZNVPDYVCJHY-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-9-6-19(7-10(2)21-9)14-11-5-15-18(3)13(11)16-12(17-14)8-20-4/h5,9-10H,6-8H2,1-4H3/t9-,10+.
What are the key properties of (2S,6R)-4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine?
(2S,6R)-4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 291.36 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 56918254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).