7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine

C27H33N7O3 — CID 170324289

IUPAC7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
SMILESCc1c(N2CCc3cnc(Nc4ccc(OCCN5CCOCC5)cc4)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C27H33N7O3/c1-19-24(17-29-26-25(19)28-7-12-37-26)34-8-6-20-16-30-27(32-23(20)18-34)31-21-2-4-22(5-3-21)36-15-11-33-9-13-35-14-10-33/h2-5,16-17,28H,6-15,18H2,1H3,(H,30,31,32)
InChIKeyOILACOOZPGJSHH-UHFFFAOYSA-N
MW503.61 g/mol
LogP3.00
Rot. Bonds7

About 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine

7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 170324289) has the molecular formula C27H33N7O3 and a molecular weight of 503.61 g/mol. Its IUPAC name is 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
PubChem CID170324289
Molecular FormulaC27H33N7O3
Molecular Weight503.61 g/mol
Exact Mass503.26
IUPAC Name7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
SMILESCc1c(N2CCc3cnc(Nc4ccc(OCCN5CCOCC5)cc4)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C27H33N7O3/c1-19-24(17-29-26-25(19)28-7-12-37-26)34-8-6-20-16-30-27(32-23(20)18-34)31-21-2-4-22(5-3-21)36-15-11-33-9-13-35-14-10-33/h2-5,16-17,28H,6-15,18H2,1H3,(H,30,31,32)
InChIKeyOILACOOZPGJSHH-UHFFFAOYSA-N
XLogP3.00
TPSA96.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.61
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine (CID 170324289) is 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine is Cc1c(N2CCc3cnc(Nc4ccc(OCCN5CCOCC5)cc4)nc3C2)cnc2c1NCCO2.
What is the InChIKey of 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is OILACOOZPGJSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O3/c1-19-24(17-29-26-25(19)28-7-12-37-26)34-8-6-20-16-30-27(32-23(20)18-34)31-21-2-4-22(5-3-21)36-15-11-33-9-13-35-14-10-33/h2-5,16-17,28H,6-15,18H2,1H3,(H,30,31,32).
What are the key properties of 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 503.61 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 170324289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).