[2-(2-methoxyethoxy)-5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]methanol

C25H30N6O4 — CID 170324203

IUPAC[2-(2-methoxyethoxy)-5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]methanol
SMILESCOCCOc1ccc(Nc2ncc3c(n2)CN(c2cnc4c(c2C)NCCO4)CC3)cc1CO
InChIInChI=1S/C25H30N6O4/c1-16-21(13-27-24-23(16)26-6-8-35-24)31-7-5-17-12-28-25(30-20(17)14-31)29-19-3-4-22(18(11-19)15-32)34-10-9-33-2/h3-4,11-13,26,32H,5-10,14-15H2,1-2H3,(H,28,29,30)
InChIKeySMFRTELEZCVKRX-UHFFFAOYSA-N
MW478.55 g/mol
LogP2.81
Rot. Bonds8

About [2-(2-methoxyethoxy)-5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]methanol

[2-(2-methoxyethoxy)-5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]methanol (PubChem CID 170324203) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is [2-(2-methoxyethoxy)-5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]methanol.

Molecular Properties

Compound Name[2-(2-methoxyethoxy)-5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]methanol
PubChem CID170324203
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name[2-(2-methoxyethoxy)-5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]methanol
SMILESCOCCOc1ccc(Nc2ncc3c(n2)CN(c2cnc4c(c2C)NCCO4)CC3)cc1CO
InChIInChI=1S/C25H30N6O4/c1-16-21(13-27-24-23(16)26-6-8-35-24)31-7-5-17-12-28-25(30-20(17)14-31)29-19-3-4-22(18(11-19)15-32)34-10-9-33-2/h3-4,11-13,26,32H,5-10,14-15H2,1-2H3,(H,28,29,30)
InChIKeySMFRTELEZCVKRX-UHFFFAOYSA-N
XLogP2.81
TPSA113.89 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-(2-methoxyethoxy)-5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]methanol with MolForge

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Related Compounds

CID 11365185
CID 11365185
CID 16739867
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CID 16750328
CID 16750328
CID 25154395
CID 25154395
CID 25154436
CID 25154436
CID 44426279
CID 44426279
CID 50908894
CID 50908894
CID 53322731
CID 53322731
CID 170324461
CID 170324461
CID 170324608
CID 170324608
CID 170324717
CID 170324717
CID 139390054
CID 139390054

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethoxy)-5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]methanol?
The IUPAC name of [2-(2-methoxyethoxy)-5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]methanol (CID 170324203) is [2-(2-methoxyethoxy)-5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]methanol.
What is the SMILES notation for [2-(2-methoxyethoxy)-5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]methanol?
The canonical SMILES for [2-(2-methoxyethoxy)-5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]methanol is COCCOc1ccc(Nc2ncc3c(n2)CN(c2cnc4c(c2C)NCCO4)CC3)cc1CO.
What is the InChIKey of [2-(2-methoxyethoxy)-5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]methanol?
The InChIKey is SMFRTELEZCVKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-16-21(13-27-24-23(16)26-6-8-35-24)31-7-5-17-12-28-25(30-20(17)14-31)29-19-3-4-22(18(11-19)15-32)34-10-9-33-2/h3-4,11-13,26,32H,5-10,14-15H2,1-2H3,(H,28,29,30).
What are the key properties of [2-(2-methoxyethoxy)-5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]methanol?
[2-(2-methoxyethoxy)-5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]methanol has a molecular weight of 478.55 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethoxy)-5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]methanol is sourced from PubChem (CID 170324203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).