N-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-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

C26H30N6O4 — CID 170324407

IUPACN-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-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(Nc4ccc(OC[C@@H]5COCCO5)cc4)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C26H30N6O4/c1-17-23(13-28-25-24(17)27-7-9-35-25)32-8-6-18-12-29-26(31-22(18)14-32)30-19-2-4-20(5-3-19)36-16-21-15-33-10-11-34-21/h2-5,12-13,21,27H,6-11,14-16H2,1H3,(H,29,30,31)/t21-/m0/s1
InChIKeyUNVXKELYHLORIN-NRFANRHFSA-N
MW490.56 g/mol
LogP3.08
Rot. Bonds6

About N-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-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-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-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 170324407) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-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-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-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 CID170324407
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC NameN-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-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(Nc4ccc(OC[C@@H]5COCCO5)cc4)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C26H30N6O4/c1-17-23(13-28-25-24(17)27-7-9-35-25)32-8-6-18-12-29-26(31-22(18)14-32)30-19-2-4-20(5-3-19)36-16-21-15-33-10-11-34-21/h2-5,12-13,21,27H,6-11,14-16H2,1H3,(H,29,30,31)/t21-/m0/s1
InChIKeyUNVXKELYHLORIN-NRFANRHFSA-N
XLogP3.08
TPSA102.89 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-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-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-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-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-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 170324407) is N-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-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-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-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-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-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(Nc4ccc(OC[C@@H]5COCCO5)cc4)nc3C2)cnc2c1NCCO2.
What is the InChIKey of N-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-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 UNVXKELYHLORIN-NRFANRHFSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-17-23(13-28-25-24(17)27-7-9-35-25)32-8-6-18-12-29-26(31-22(18)14-32)30-19-2-4-20(5-3-19)36-16-21-15-33-10-11-34-21/h2-5,12-13,21,27H,6-11,14-16H2,1H3,(H,29,30,31)/t21-/m0/s1.
What are the key properties of N-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-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-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-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 490.56 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-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 170324407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).