N-(2-methyl-1,3-dihydroisoindol-5-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

C24H27N7O — CID 170324119

IUPACN-(2-methyl-1,3-dihydroisoindol-5-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)CN(C)C5)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C24H27N7O/c1-15-21(11-26-23-22(15)25-6-8-32-23)31-7-5-16-10-27-24(29-20(16)14-31)28-19-4-3-17-12-30(2)13-18(17)9-19/h3-4,9-11,25H,5-8,12-14H2,1-2H3,(H,27,28,29)
InChIKeyPHLFQQFIKFWEKJ-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.24
Rot. Bonds3

About N-(2-methyl-1,3-dihydroisoindol-5-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-(2-methyl-1,3-dihydroisoindol-5-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 170324119) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is N-(2-methyl-1,3-dihydroisoindol-5-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-(2-methyl-1,3-dihydroisoindol-5-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 CID170324119
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC NameN-(2-methyl-1,3-dihydroisoindol-5-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)CN(C)C5)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C24H27N7O/c1-15-21(11-26-23-22(15)25-6-8-32-23)31-7-5-16-10-27-24(29-20(16)14-31)28-19-4-3-17-12-30(2)13-18(17)9-19/h3-4,9-11,25H,5-8,12-14H2,1-2H3,(H,27,28,29)
InChIKeyPHLFQQFIKFWEKJ-UHFFFAOYSA-N
XLogP3.24
TPSA78.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(2-methyl-1,3-dihydroisoindol-5-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-(2-methyl-1,3-dihydroisoindol-5-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-(2-methyl-1,3-dihydroisoindol-5-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 170324119) is N-(2-methyl-1,3-dihydroisoindol-5-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-(2-methyl-1,3-dihydroisoindol-5-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-(2-methyl-1,3-dihydroisoindol-5-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)CN(C)C5)nc3C2)cnc2c1NCCO2.
What is the InChIKey of N-(2-methyl-1,3-dihydroisoindol-5-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 PHLFQQFIKFWEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-15-21(11-26-23-22(15)25-6-8-32-23)31-7-5-16-10-27-24(29-20(16)14-31)28-19-4-3-17-12-30(2)13-18(17)9-19/h3-4,9-11,25H,5-8,12-14H2,1-2H3,(H,27,28,29).
What are the key properties of N-(2-methyl-1,3-dihydroisoindol-5-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-(2-methyl-1,3-dihydroisoindol-5-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 429.53 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dihydroisoindol-5-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 170324119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).