4-[7-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine

C21H26F2N4O — CID 46961609

IUPAC4-[7-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
SMILESCC(C)c1nc2c(c(N3CCOCC3)n1)CCN(Cc1c(F)cccc1F)C2
InChIInChI=1S/C21H26F2N4O/c1-14(2)20-24-19-13-26(12-16-17(22)4-3-5-18(16)23)7-6-15(19)21(25-20)27-8-10-28-11-9-27/h3-5,14H,6-13H2,1-2H3
InChIKeyJJEBYAXSQOQWFH-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.27
Rot. Bonds4

About 4-[7-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine

4-[7-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine (PubChem CID 46961609) has the molecular formula C21H26F2N4O and a molecular weight of 388.46 g/mol. Its IUPAC name is 4-[7-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[7-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
PubChem CID46961609
Molecular FormulaC21H26F2N4O
Molecular Weight388.46 g/mol
Exact Mass388.21
IUPAC Name4-[7-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
SMILESCC(C)c1nc2c(c(N3CCOCC3)n1)CCN(Cc1c(F)cccc1F)C2
InChIInChI=1S/C21H26F2N4O/c1-14(2)20-24-19-13-26(12-16-17(22)4-3-5-18(16)23)7-6-15(19)21(25-20)27-8-10-28-11-9-27/h3-5,14H,6-13H2,1-2H3
InChIKeyJJEBYAXSQOQWFH-UHFFFAOYSA-N
XLogP3.27
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[7-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine (CID 46961609) is 4-[7-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[7-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[7-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine is CC(C)c1nc2c(c(N3CCOCC3)n1)CCN(Cc1c(F)cccc1F)C2.
What is the InChIKey of 4-[7-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is JJEBYAXSQOQWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O/c1-14(2)20-24-19-13-26(12-16-17(22)4-3-5-18(16)23)7-6-15(19)21(25-20)27-8-10-28-11-9-27/h3-5,14H,6-13H2,1-2H3.
What are the key properties of 4-[7-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine?
4-[7-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 388.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 46961609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).