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

C26H32N8O — CID 170324717

IUPAC7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
SMILESCc1c(N2CCc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C26H32N8O/c1-18-23(16-28-25-24(18)27-8-14-35-25)34-9-7-19-15-29-26(31-22(19)17-34)30-20-3-5-21(6-4-20)33-12-10-32(2)11-13-33/h3-6,15-16,27H,7-14,17H2,1-2H3,(H,29,30,31)
InChIKeyGBNSGUREQLETAO-UHFFFAOYSA-N
MW472.60 g/mol
LogP3.04
Rot. Bonds4

About 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 170324717) has the molecular formula C26H32N8O and a molecular weight of 472.60 g/mol. Its IUPAC name is 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
PubChem CID170324717
Molecular FormulaC26H32N8O
Molecular Weight472.60 g/mol
Exact Mass472.27
IUPAC Name7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
SMILESCc1c(N2CCc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C26H32N8O/c1-18-23(16-28-25-24(18)27-8-14-35-25)34-9-7-19-15-29-26(31-22(19)17-34)30-20-3-5-21(6-4-20)33-12-10-32(2)11-13-33/h3-6,15-16,27H,7-14,17H2,1-2H3,(H,29,30,31)
InChIKeyGBNSGUREQLETAO-UHFFFAOYSA-N
XLogP3.04
TPSA81.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine (CID 170324717) is 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine is Cc1c(N2CCc3cnc(Nc4ccc(N5CCN(C)CC5)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-(4-methylpiperazin-1-yl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is GBNSGUREQLETAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O/c1-18-23(16-28-25-24(18)27-8-14-35-25)34-9-7-19-15-29-26(31-22(19)17-34)30-20-3-5-21(6-4-20)33-12-10-32(2)11-13-33/h3-6,15-16,27H,7-14,17H2,1-2H3,(H,29,30,31).
What are the key properties of 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 472.60 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 9 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-(4-methylpiperazin-1-yl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 170324717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).