4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine

C28H31N5O4 — CID 58164324

IUPAC4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine
SMILESCOc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(OCCN4CCOCC4)c3C1)CO2
InChIInChI=1S/C28H31N5O4/c1-34-21-2-3-26-19(13-21)12-20(17-37-26)24-16-22-25(31-24)14-18(23-4-5-30-28(29)32-23)15-27(22)36-11-8-33-6-9-35-10-7-33/h2-5,13-15,20H,6-12,16-17H2,1H3,(H2,29,30,32)
InChIKeyNFMJZPMSAGKSFD-UHFFFAOYSA-N
MW501.59 g/mol
LogP3.33
Rot. Bonds7

About 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine

4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine (PubChem CID 58164324) has the molecular formula C28H31N5O4 and a molecular weight of 501.59 g/mol. Its IUPAC name is 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine
PubChem CID58164324
Molecular FormulaC28H31N5O4
Molecular Weight501.59 g/mol
Exact Mass501.24
IUPAC Name4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine
SMILESCOc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(OCCN4CCOCC4)c3C1)CO2
InChIInChI=1S/C28H31N5O4/c1-34-21-2-3-26-19(13-21)12-20(17-37-26)24-16-22-25(31-24)14-18(23-4-5-30-28(29)32-23)15-27(22)36-11-8-33-6-9-35-10-7-33/h2-5,13-15,20H,6-12,16-17H2,1H3,(H2,29,30,32)
InChIKeyNFMJZPMSAGKSFD-UHFFFAOYSA-N
XLogP3.33
TPSA104.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.59
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine (CID 58164324) is 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine is COc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(OCCN4CCOCC4)c3C1)CO2.
What is the InChIKey of 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine?
The InChIKey is NFMJZPMSAGKSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O4/c1-34-21-2-3-26-19(13-21)12-20(17-37-26)24-16-22-25(31-24)14-18(23-4-5-30-28(29)32-23)15-27(22)36-11-8-33-6-9-35-10-7-33/h2-5,13-15,20H,6-12,16-17H2,1H3,(H2,29,30,32).
What are the key properties of 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine?
4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine has a molecular weight of 501.59 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 58164324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).