4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]morpholine

C20H20FN7O — CID 139368515

IUPAC4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]morpholine
SMILESCC1c2cnc(-c3ncccn3)nc2CN1c1cc(N2CCOCC2)cc(F)n1
InChIInChI=1S/C20H20FN7O/c1-13-15-11-24-20(19-22-3-2-4-23-19)25-16(15)12-28(13)18-10-14(9-17(21)26-18)27-5-7-29-8-6-27/h2-4,9-11,13H,5-8,12H2,1H3
InChIKeyGDUSNWOJQOJKPP-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.39
Rot. Bonds3

About 4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]morpholine

4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]morpholine (PubChem CID 139368515) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]morpholine
PubChem CID139368515
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]morpholine
SMILESCC1c2cnc(-c3ncccn3)nc2CN1c1cc(N2CCOCC2)cc(F)n1
InChIInChI=1S/C20H20FN7O/c1-13-15-11-24-20(19-22-3-2-4-23-19)25-16(15)12-28(13)18-10-14(9-17(21)26-18)27-5-7-29-8-6-27/h2-4,9-11,13H,5-8,12H2,1H3
InChIKeyGDUSNWOJQOJKPP-UHFFFAOYSA-N
XLogP2.39
TPSA80.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]morpholine with MolForge

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Related Compounds

6-[6-fluoro-4-(4-methylsulfanylpiperazin-1-yl)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 146519308
4-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;4-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine
CID 158775920
[1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]azetidin-3-yl]methanol
CID 139367488
6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 139381324
2-ethyl-4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;2-ethyl-4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine
CID 159808794
1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 139367543
6-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-fluoro-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 139381339
2-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-1,2-thiazolidine 1,1-dioxide
CID 139367430
(5S)-6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122681023
4-acetyl-1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]piperazin-2-one
CID 139367507
6-[6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 139367435
6-[2-(2,2-difluoroethoxy)-6-fluoro-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-[4-(2,2-difluoroethoxy)-6-fluoro-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-[6-(2,2-difluoroethoxy)-4-fluoro-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 158203809

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]morpholine?
The IUPAC name of 4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]morpholine (CID 139368515) is 4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]morpholine.
What is the SMILES notation for 4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]morpholine?
The canonical SMILES for 4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]morpholine is CC1c2cnc(-c3ncccn3)nc2CN1c1cc(N2CCOCC2)cc(F)n1.
What is the InChIKey of 4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]morpholine?
The InChIKey is GDUSNWOJQOJKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-13-15-11-24-20(19-22-3-2-4-23-19)25-16(15)12-28(13)18-10-14(9-17(21)26-18)27-5-7-29-8-6-27/h2-4,9-11,13H,5-8,12H2,1H3.
What are the key properties of 4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]morpholine?
4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]morpholine has a molecular weight of 393.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]morpholine is sourced from PubChem (CID 139368515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).