6-[(6R)-2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one

C22H19F4N7O2 — CID 170711707

IUPAC6-[(6R)-2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(-c3ccc(F)cc3F)nc(N3C[C@@H](c4cnn(C)c4)OC(F)(F)C3)nc2c(=O)n1C
InChIInChI=1S/C22H19F4N7O2/c1-11-28-18-17(14-5-4-13(23)6-15(14)24)29-21(30-19(18)20(34)32(11)3)33-9-16(35-22(25,26)10-33)12-7-27-31(2)8-12/h4-8,16H,9-10H2,1-3H3/t16-/m0/s1
InChIKeyLMJPZTDINIQVCP-INIZCTEOSA-N
MW489.43 g/mol
LogP2.88
Rot. Bonds3

About 6-[(6R)-2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one

6-[(6R)-2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one (PubChem CID 170711707) has the molecular formula C22H19F4N7O2 and a molecular weight of 489.43 g/mol. Its IUPAC name is 6-[(6R)-2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(6R)-2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
PubChem CID170711707
Molecular FormulaC22H19F4N7O2
Molecular Weight489.43 g/mol
Exact Mass489.15
IUPAC Name6-[(6R)-2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(-c3ccc(F)cc3F)nc(N3C[C@@H](c4cnn(C)c4)OC(F)(F)C3)nc2c(=O)n1C
InChIInChI=1S/C22H19F4N7O2/c1-11-28-18-17(14-5-4-13(23)6-15(14)24)29-21(30-19(18)20(34)32(11)3)33-9-16(35-22(25,26)10-33)12-7-27-31(2)8-12/h4-8,16H,9-10H2,1-3H3/t16-/m0/s1
InChIKeyLMJPZTDINIQVCP-INIZCTEOSA-N
XLogP2.88
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[(6R)-2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(6R)-2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(6R)-2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one (CID 170711707) is 6-[(6R)-2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(6R)-2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(6R)-2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one is Cc1nc2c(-c3ccc(F)cc3F)nc(N3C[C@@H](c4cnn(C)c4)OC(F)(F)C3)nc2c(=O)n1C.
What is the InChIKey of 6-[(6R)-2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one?
The InChIKey is LMJPZTDINIQVCP-INIZCTEOSA-N. The full InChI is InChI=1S/C22H19F4N7O2/c1-11-28-18-17(14-5-4-13(23)6-15(14)24)29-21(30-19(18)20(34)32(11)3)33-9-16(35-22(25,26)10-33)12-7-27-31(2)8-12/h4-8,16H,9-10H2,1-3H3/t16-/m0/s1.
What are the key properties of 6-[(6R)-2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one?
6-[(6R)-2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one has a molecular weight of 489.43 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6R)-2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 170711707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).