(2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine

C20H25N5O2 — CID 158298103

IUPAC(2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine
SMILESCC(C)Oc1cc2c(cn1)CN=C2c1cc(N2C[C@@H](C)O[C@@H](C)C2)ncn1
InChIInChI=1S/C20H25N5O2/c1-12(2)26-19-5-16-15(7-21-19)8-22-20(16)17-6-18(24-11-23-17)25-9-13(3)27-14(4)10-25/h5-7,11-14H,8-10H2,1-4H3/t13-,14+
InChIKeyGMDSUXMJKRLIOD-OKILXGFUSA-N
MW367.45 g/mol
LogP2.62
Rot. Bonds4

About (2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine

(2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine (PubChem CID 158298103) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine
PubChem CID158298103
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine
SMILESCC(C)Oc1cc2c(cn1)CN=C2c1cc(N2C[C@@H](C)O[C@@H](C)C2)ncn1
InChIInChI=1S/C20H25N5O2/c1-12(2)26-19-5-16-15(7-21-19)8-22-20(16)17-6-18(24-11-23-17)25-9-13(3)27-14(4)10-25/h5-7,11-14H,8-10H2,1-4H3/t13-,14+
InChIKeyGMDSUXMJKRLIOD-OKILXGFUSA-N
XLogP2.62
TPSA72.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

1-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
CID 147379339
(2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 158740441
(2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine
CID 157362787
(2S,6R)-2,6-dimethyl-4-[6-[6-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 159914109
(6S)-2-iodo-6-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine
CID 144795289
(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 147343969
(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 159726399
3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 158756160
4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
CID 146914043
1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
CID 159016860
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 157245093
1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-amine
CID 66331612

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine (CID 158298103) is (2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine is CC(C)Oc1cc2c(cn1)CN=C2c1cc(N2C[C@@H](C)O[C@@H](C)C2)ncn1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine?
The InChIKey is GMDSUXMJKRLIOD-OKILXGFUSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-12(2)26-19-5-16-15(7-21-19)8-22-20(16)17-6-18(24-11-23-17)25-9-13(3)27-14(4)10-25/h5-7,11-14H,8-10H2,1-4H3/t13-,14+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine?
(2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine has a molecular weight of 367.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 158298103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).