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

C27H29N5O3 — CID 58164204

IUPAC4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2cc3c(c(OCCN4CCOCC4)c2)CC(C2COc4ccccc4C2)=N3)n1
InChIInChI=1S/C27H29N5O3/c28-27-29-6-5-22(31-27)19-14-24-21(26(15-19)34-12-9-32-7-10-33-11-8-32)16-23(30-24)20-13-18-3-1-2-4-25(18)35-17-20/h1-6,14-15,20H,7-13,16-17H2,(H2,28,29,31)
InChIKeyZPQAETYKYPZYEU-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.32
Rot. Bonds6

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

4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine (PubChem CID 58164204) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine
PubChem CID58164204
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2cc3c(c(OCCN4CCOCC4)c2)CC(C2COc4ccccc4C2)=N3)n1
InChIInChI=1S/C27H29N5O3/c28-27-29-6-5-22(31-27)19-14-24-21(26(15-19)34-12-9-32-7-10-33-11-8-32)16-23(30-24)20-13-18-3-1-2-4-25(18)35-17-20/h1-6,14-15,20H,7-13,16-17H2,(H2,28,29,31)
InChIKeyZPQAETYKYPZYEU-UHFFFAOYSA-N
XLogP3.32
TPSA95.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(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-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine (CID 58164204) is 4-[2-(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-(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-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine is Nc1nccc(-c2cc3c(c(OCCN4CCOCC4)c2)CC(C2COc4ccccc4C2)=N3)n1.
What is the InChIKey of 4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine?
The InChIKey is ZPQAETYKYPZYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c28-27-29-6-5-22(31-27)19-14-24-21(26(15-19)34-12-9-32-7-10-33-11-8-32)16-23(30-24)20-13-18-3-1-2-4-25(18)35-17-20/h1-6,14-15,20H,7-13,16-17H2,(H2,28,29,31).
What are the key properties of 4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine?
4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine has a molecular weight of 471.56 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dihydro-2H-chromen-3-yl)-4-(2-morpholin-4-ylethoxy)-3H-indol-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 58164204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).