N-(3,4-dihydro-1H-isochromen-6-yl)-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-amine

C24H26N6O2 — CID 170324461

IUPACN-(3,4-dihydro-1H-isochromen-6-yl)-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-amine
SMILESCc1c(N2CCc3cnc(Nc4ccc5c(c4)CCOC5)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C24H26N6O2/c1-15-21(12-26-23-22(15)25-6-9-32-23)30-7-4-17-11-27-24(29-20(17)13-30)28-19-3-2-18-14-31-8-5-16(18)10-19/h2-3,10-12,25H,4-9,13-14H2,1H3,(H,27,28,29)
InChIKeyHQPJGLFPROVJRD-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.36
Rot. Bonds3

About N-(3,4-dihydro-1H-isochromen-6-yl)-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-amine

N-(3,4-dihydro-1H-isochromen-6-yl)-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-amine (PubChem CID 170324461) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-6-yl)-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-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-6-yl)-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-amine
PubChem CID170324461
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC NameN-(3,4-dihydro-1H-isochromen-6-yl)-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-amine
SMILESCc1c(N2CCc3cnc(Nc4ccc5c(c4)CCOC5)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C24H26N6O2/c1-15-21(12-26-23-22(15)25-6-9-32-23)30-7-4-17-11-27-24(29-20(17)13-30)28-19-3-2-18-14-31-8-5-16(18)10-19/h2-3,10-12,25H,4-9,13-14H2,1H3,(H,27,28,29)
InChIKeyHQPJGLFPROVJRD-UHFFFAOYSA-N
XLogP3.36
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(3,4-dihydro-1H-isochromen-6-yl)-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-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-6-yl)-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-amine?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-6-yl)-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-amine (CID 170324461) is N-(3,4-dihydro-1H-isochromen-6-yl)-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-amine.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-6-yl)-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-amine?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-6-yl)-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-amine is Cc1c(N2CCc3cnc(Nc4ccc5c(c4)CCOC5)nc3C2)cnc2c1NCCO2.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-6-yl)-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-amine?
The InChIKey is HQPJGLFPROVJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-15-21(12-26-23-22(15)25-6-9-32-23)30-7-4-17-11-27-24(29-20(17)13-30)28-19-3-2-18-14-31-8-5-16(18)10-19/h2-3,10-12,25H,4-9,13-14H2,1H3,(H,27,28,29).
What are the key properties of N-(3,4-dihydro-1H-isochromen-6-yl)-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-amine?
N-(3,4-dihydro-1H-isochromen-6-yl)-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-amine has a molecular weight of 430.51 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-6-yl)-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-amine is sourced from PubChem (CID 170324461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).